N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide

C18H35N5O2 — CID 111364129

IUPACN,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C18H35N5O2/c1-14(2)11-19-18(21-13-17(24)22(5)6)20-12-16(15(3)4)23-7-9-25-10-8-23/h15-16H,1,7-13H2,2-6H3,(H2,19,20,21)
InChIKeyIUSKSNYGAKXLFF-UHFFFAOYSA-N
MW353.51 g/mol
LogP0.54
Rot. Bonds8

About N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide (PubChem CID 111364129) has the molecular formula C18H35N5O2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
PubChem CID111364129
Molecular FormulaC18H35N5O2
Molecular Weight353.51 g/mol
Exact Mass353.28
IUPAC NameN,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C18H35N5O2/c1-14(2)11-19-18(21-13-17(24)22(5)6)20-12-16(15(3)4)23-7-9-25-10-8-23/h15-16H,1,7-13H2,2-6H3,(H2,19,20,21)
InChIKeyIUSKSNYGAKXLFF-UHFFFAOYSA-N
XLogP0.54
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111364861
2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364860
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111004092
2-[[(2-ethylbutylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111778777
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
CID 111326314
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-piperidin-1-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111364098
2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111364475
N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111622652
2-[[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111776240
2-[[(3,5-dimethylpiperidin-1-yl)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111153157
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111930476

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide (CID 111364129) is N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NCC(C(C)C)N1CCOCC1.
What is the InChIKey of N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide?
The InChIKey is IUSKSNYGAKXLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O2/c1-14(2)11-19-18(21-13-17(24)22(5)6)20-12-16(15(3)4)23-7-9-25-10-8-23/h15-16H,1,7-13H2,2-6H3,(H2,19,20,21).
What are the key properties of N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide has a molecular weight of 353.51 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111364129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).