N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide

C14H29IN4O2 — CID 110045148

IUPACN,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCC1(C)CCCO1.I
InChIInChI=1S/C14H28N4O2.HI/c1-5-8-15-13(16-10-12(19)18(3)4)17-11-14(2)7-6-9-20-14;/h5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyFZWSVTDSJUFHKD-UHFFFAOYSA-N
MW412.32 g/mol
LogP1.21
Rot. Bonds6

About N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 110045148) has the molecular formula C14H29IN4O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID110045148
Molecular FormulaC14H29IN4O2
Molecular Weight412.32 g/mol
Exact Mass412.13
IUPAC NameN,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCC1(C)CCCO1.I
InChIInChI=1S/C14H28N4O2.HI/c1-5-8-15-13(16-10-12(19)18(3)4)17-11-14(2)7-6-9-20-14;/h5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyFZWSVTDSJUFHKD-UHFFFAOYSA-N
XLogP1.21
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-ethoxypropylamino)-[(2-methyloxolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045158
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110045135
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide
CID 110045131
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylsulfanylethylamino)methylidene]amino]acetamide
CID 110045141
N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide
CID 110036817
2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(propylamino)methylidene]amino]acetamide
CID 111777536
2-[[[(1-ethylcyclobutyl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043568
N,N-dimethyl-2-[[[(1-methylcycloheptyl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 110036202
N,N-dimethyl-2-[[[3-(oxolan-2-ylmethoxy)propylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111777483
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110037266

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide (CID 110045148) is N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide is CCCN/C(=N\CC(=O)N(C)C)NCC1(C)CCCO1.I.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is FZWSVTDSJUFHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.HI/c1-5-8-15-13(16-10-12(19)18(3)4)17-11-14(2)7-6-9-20-14;/h5-11H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 412.32 g/mol, XLogP of 1.21, 6 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-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110045148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).