N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine

C10H21N3 — CID 87182255

IUPACN,N-diethyl-3-(iminomethylideneamino)pentan-1-amine
SMILESCCC(CCN(CC)CC)N=C=N
InChIInChI=1S/C10H21N3/c1-4-10(12-9-11)7-8-13(5-2)6-3/h10-11H,4-8H2,1-3H3
InChIKeyDUFVZZXHHWLHCV-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.25
Rot. Bonds7

About N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine

N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine (PubChem CID 87182255) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(iminomethylideneamino)pentan-1-amine
PubChem CID87182255
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN,N-diethyl-3-(iminomethylideneamino)pentan-1-amine
SMILESCCC(CCN(CC)CC)N=C=N
InChIInChI=1S/C10H21N3/c1-4-10(12-9-11)7-8-13(5-2)6-3/h10-11H,4-8H2,1-3H3
InChIKeyDUFVZZXHHWLHCV-UHFFFAOYSA-N
XLogP2.25
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine?
The IUPAC name of N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine (CID 87182255) is N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine?
The canonical SMILES for N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine is CCC(CCN(CC)CC)N=C=N.
What is the InChIKey of N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine?
The InChIKey is DUFVZZXHHWLHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-10(12-9-11)7-8-13(5-2)6-3/h10-11H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine?
N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine is sourced from PubChem (CID 87182255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).