(3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine

C9H18N2 — CID 163547939

IUPAC(3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine
SMILES[H]/N=C/CCNCC[C@H](C)C=C
InChIInChI=1S/C9H18N2/c1-3-9(2)5-8-11-7-4-6-10/h3,6,9-11H,1,4-5,7-8H2,2H3/b10-6+/t9-/m1/s1
InChIKeyFGQKPCSUBFZPEL-ZFZMKPAXSA-N
MW154.26 g/mol
LogP1.83
Rot. Bonds7

About (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine

(3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine (PubChem CID 163547939) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine.

Molecular Properties

Compound Name(3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine
PubChem CID163547939
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine
SMILES[H]/N=C/CCNCC[C@H](C)C=C
InChIInChI=1S/C9H18N2/c1-3-9(2)5-8-11-7-4-6-10/h3,6,9-11H,1,4-5,7-8H2,2H3/b10-6+/t9-/m1/s1
InChIKeyFGQKPCSUBFZPEL-ZFZMKPAXSA-N
XLogP1.83
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine?
The IUPAC name of (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine (CID 163547939) is (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine.
What is the SMILES notation for (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine?
The canonical SMILES for (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine is [H]/N=C/CCNCC[C@H](C)C=C.
What is the InChIKey of (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine?
The InChIKey is FGQKPCSUBFZPEL-ZFZMKPAXSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(2)5-8-11-7-4-6-10/h3,6,9-11H,1,4-5,7-8H2,2H3/b10-6+/t9-/m1/s1.
What are the key properties of (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine?
(3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-iminopropyl)-3-methylpent-4-en-1-amine is sourced from PubChem (CID 163547939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).