N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide

C16H34N4O2 — CID 110034777

IUPACN,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N/CC(=O)N(C)C)NCCCCOC(C)C
InChIInChI=1S/C16H34N4O2/c1-13(2)11-18-16(19-12-15(21)20(5)6)17-9-7-8-10-22-14(3)4/h13-14H,7-12H2,1-6H3,(H2,17,18,19)
InChIKeyKMNSTAKYUHSHPN-UHFFFAOYSA-N
MW314.47 g/mol
LogP1.47
Rot. Bonds10

About N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide (PubChem CID 110034777) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide
PubChem CID110034777
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC NameN,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N/CC(=O)N(C)C)NCCCCOC(C)C
InChIInChI=1S/C16H34N4O2/c1-13(2)11-18-16(19-12-15(21)20(5)6)17-9-7-8-10-22-14(3)4/h13-14H,7-12H2,1-6H3,(H2,17,18,19)
InChIKeyKMNSTAKYUHSHPN-UHFFFAOYSA-N
XLogP1.47
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide
CID 110035761
2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111178126
N,N-dimethyl-2-[[(2-methylpropylamino)-(6-methylsulfanylhexylamino)methylidene]amino]acetamide
CID 110033867
N,N-dimethyl-2-[[(2-phenylethylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide;hydroiodide
CID 110035262
N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide
CID 111494828
N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide;hydroiodide
CID 110033782
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110037260
2-[[(3-ethoxypropylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110978831
N,N-dimethyl-2-[[(2-methylpropylamino)-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111777667
2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111363857
2-[[butylamino-(4-methylpentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364190
2-[[(cyclohexylmethylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767470

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide (CID 110034777) is N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide is CC(C)CN/C(=N/CC(=O)N(C)C)NCCCCOC(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide?
The InChIKey is KMNSTAKYUHSHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2/c1-13(2)11-18-16(19-12-15(21)20(5)6)17-9-7-8-10-22-14(3)4/h13-14H,7-12H2,1-6H3,(H2,17,18,19).
What are the key properties of N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide has a molecular weight of 314.47 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110034777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).