(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine

C9H18N2 — CID 155145394

IUPAC(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine
SMILESC=CCNCC(N)[C@@H](C)C=C
InChIInChI=1S/C9H18N2/c1-4-6-11-7-9(10)8(3)5-2/h4-5,8-9,11H,1-2,6-7,10H2,3H3/t8-,9?/m0/s1
InChIKeyFKHSZBSBBFRMLR-IENPIDJESA-N
MW154.26 g/mol
LogP0.91
Rot. Bonds6

About (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine

(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine (PubChem CID 155145394) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine
PubChem CID155145394
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine
SMILESC=CCNCC(N)[C@@H](C)C=C
InChIInChI=1S/C9H18N2/c1-4-6-11-7-9(10)8(3)5-2/h4-5,8-9,11H,1-2,6-7,10H2,3H3/t8-,9?/m0/s1
InChIKeyFKHSZBSBBFRMLR-IENPIDJESA-N
XLogP0.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine?
The IUPAC name of (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine (CID 155145394) is (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine.
What is the SMILES notation for (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine?
The canonical SMILES for (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine is C=CCNCC(N)[C@@H](C)C=C.
What is the InChIKey of (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine?
The InChIKey is FKHSZBSBBFRMLR-IENPIDJESA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-11-7-9(10)8(3)5-2/h4-5,8-9,11H,1-2,6-7,10H2,3H3/t8-,9?/m0/s1.
What are the key properties of (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine?
(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine is sourced from PubChem (CID 155145394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).