N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine

C9H20N4 — CID 87771220

IUPACN-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine
SMILESCCC(N=C=NC(CC)NC)NC
InChIInChI=1S/C9H20N4/c1-5-8(10-3)12-7-13-9(6-2)11-4/h8-11H,5-6H2,1-4H3
InChIKeyLBDKMJBIDHRTDA-UHFFFAOYSA-N
MW184.29 g/mol
LogP1.07
Rot. Bonds6

About N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine

N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine (PubChem CID 87771220) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine
PubChem CID87771220
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC NameN-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine
SMILESCCC(N=C=NC(CC)NC)NC
InChIInChI=1S/C9H20N4/c1-5-8(10-3)12-7-13-9(6-2)11-4/h8-11H,5-6H2,1-4H3
InChIKeyLBDKMJBIDHRTDA-UHFFFAOYSA-N
XLogP1.07
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
CID 87886193
N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride
CID 87190299
N-methylmethanamine;pentan-3-ol
CID 143532118
1-(methylamino)propane-1-thiol;hydrochloride
CID 174383519
4-ethyl-N-methylhexan-3-amine
CID 79307570
N-(propyliminomethylideneamino)methanamine
CID 176541672
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
ethane;2-(methylamino)butanoic acid
CID 91558033
CID 160931702
CID 160931702
N,N'-di(propan-2-yl)methanediimine;hydrobromide
CID 88647756
N-methylhept-5-yn-3-amine
CID 62309993
N"-butan-2-yl-N',N"-dimethylmethanetriamine
CID 129045479

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine?
The IUPAC name of N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine (CID 87771220) is N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine is CCC(N=C=NC(CC)NC)NC.
What is the InChIKey of N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine?
The InChIKey is LBDKMJBIDHRTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-5-8(10-3)12-7-13-9(6-2)11-4/h8-11H,5-6H2,1-4H3.
What are the key properties of N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine?
N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine has a molecular weight of 184.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(methylamino)propyliminomethylideneamino]propan-1-amine is sourced from PubChem (CID 87771220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).