(Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine

C9H19N3 — CID 134463839

IUPAC(Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine
SMILES[H]/N=C/[C@H](C)CCC/C(=C/N)CN
InChIInChI=1S/C9H19N3/c1-8(5-10)3-2-4-9(6-11)7-12/h5-6,8,10H,2-4,7,11-12H2,1H3/b9-6-,10-5+/t8-/m1/s1
InChIKeyMQRLOBSLFIBFCY-GXGSIIGFSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds6

About (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine

(Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine (PubChem CID 134463839) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine
PubChem CID134463839
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine
SMILES[H]/N=C/[C@H](C)CCC/C(=C/N)CN
InChIInChI=1S/C9H19N3/c1-8(5-10)3-2-4-9(6-11)7-12/h5-6,8,10H,2-4,7,11-12H2,1H3/b9-6-,10-5+/t8-/m1/s1
InChIKeyMQRLOBSLFIBFCY-GXGSIIGFSA-N
XLogP1.24
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine (CID 134463839) is (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine is [H]/N=C/[C@H](C)CCC/C(=C/N)CN.
What is the InChIKey of (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine?
The InChIKey is MQRLOBSLFIBFCY-GXGSIIGFSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(5-10)3-2-4-9(6-11)7-12/h5-6,8,10H,2-4,7,11-12H2,1H3/b9-6-,10-5+/t8-/m1/s1.
What are the key properties of (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine?
(Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine has a molecular weight of 169.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(4R)-5-imino-4-methylpentyl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 134463839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).