(4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine

C9H19N3 — CID 144618513

IUPAC(4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine
SMILESC=C(N)NCCC[C@H](N)C(=C)C
InChIInChI=1S/C9H19N3/c1-7(2)9(11)5-4-6-12-8(3)10/h9,12H,1,3-6,10-11H2,2H3/t9-/m0/s1
InChIKeyIUGLWDFRHXIMBU-VIFPVBQESA-N
MW169.27 g/mol
LogP0.69
Rot. Bonds6

About (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine

(4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine (PubChem CID 144618513) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine.

Molecular Properties

Compound Name(4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine
PubChem CID144618513
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine
SMILESC=C(N)NCCC[C@H](N)C(=C)C
InChIInChI=1S/C9H19N3/c1-7(2)9(11)5-4-6-12-8(3)10/h9,12H,1,3-6,10-11H2,2H3/t9-/m0/s1
InChIKeyIUGLWDFRHXIMBU-VIFPVBQESA-N
XLogP0.69
TPSA64.07 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 ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine?
The IUPAC name of (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine (CID 144618513) is (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine.
What is the SMILES notation for (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine?
The canonical SMILES for (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine is C=C(N)NCCC[C@H](N)C(=C)C.
What is the InChIKey of (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine?
The InChIKey is IUGLWDFRHXIMBU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)9(11)5-4-6-12-8(3)10/h9,12H,1,3-6,10-11H2,2H3/t9-/m0/s1.
What are the key properties of (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine?
(4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine is sourced from PubChem (CID 144618513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).