N,N-diethyl-4-iminopentan-1-amine

C9H20N2 — CID 90441661

IUPACN,N-diethyl-4-iminopentan-1-amine
SMILES[H]/N=C(\C)CCCN(CC)CC
InChIInChI=1S/C9H20N2/c1-4-11(5-2)8-6-7-9(3)10/h10H,4-8H2,1-3H3/b10-9+
InChIKeyUYJCZJIPHSLEAP-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.15
Rot. Bonds6

About N,N-diethyl-4-iminopentan-1-amine

N,N-diethyl-4-iminopentan-1-amine (PubChem CID 90441661) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N-diethyl-4-iminopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-iminopentan-1-amine
PubChem CID90441661
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N-diethyl-4-iminopentan-1-amine
SMILES[H]/N=C(\C)CCCN(CC)CC
InChIInChI=1S/C9H20N2/c1-4-11(5-2)8-6-7-9(3)10/h10H,4-8H2,1-3H3/b10-9+
InChIKeyUYJCZJIPHSLEAP-MDZDMXLPSA-N
XLogP2.15
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-iminopentan-1-amine?
The IUPAC name of N,N-diethyl-4-iminopentan-1-amine (CID 90441661) is N,N-diethyl-4-iminopentan-1-amine.
What is the SMILES notation for N,N-diethyl-4-iminopentan-1-amine?
The canonical SMILES for N,N-diethyl-4-iminopentan-1-amine is [H]/N=C(\C)CCCN(CC)CC.
What is the InChIKey of N,N-diethyl-4-iminopentan-1-amine?
The InChIKey is UYJCZJIPHSLEAP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-11(5-2)8-6-7-9(3)10/h10H,4-8H2,1-3H3/b10-9+.
What are the key properties of N,N-diethyl-4-iminopentan-1-amine?
N,N-diethyl-4-iminopentan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-iminopentan-1-amine is sourced from PubChem (CID 90441661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).