(3S)-4-methylpent-1-yn-3-amine

C6H11N — CID 11579133

IUPAC(3S)-4-methylpent-1-yn-3-amine
SMILESC#C[C@@H](N)C(C)C
InChIInChI=1S/C6H11N/c1-4-6(7)5(2)3/h1,5-6H,7H2,2-3H3/t6-/m1/s1
InChIKeyIGJJBZHFJDQVAV-ZCFIWIBFSA-N
MW97.16 g/mol
LogP0.60
Rot. Bonds1

About (3S)-4-methylpent-1-yn-3-amine

(3S)-4-methylpent-1-yn-3-amine (PubChem CID 11579133) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (3S)-4-methylpent-1-yn-3-amine.

Molecular Properties

Compound Name(3S)-4-methylpent-1-yn-3-amine
PubChem CID11579133
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(3S)-4-methylpent-1-yn-3-amine
SMILESC#C[C@@H](N)C(C)C
InChIInChI=1S/C6H11N/c1-4-6(7)5(2)3/h1,5-6H,7H2,2-3H3/t6-/m1/s1
InChIKeyIGJJBZHFJDQVAV-ZCFIWIBFSA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-4-methylhex-1-yn-3-amine
CID 130642169
(2S)-2-(15N)azanyl-3-methylbutanenitrile
CID 101019785
1-N'-ethynyl-1-N'-methylethane-1,1-diamine
CID 173144739
4,4-dimethylpent-1-yn-3-amine;hydrochloride
CID 119031411
(2R)-3-methylbutan-2-amine
CID 6999786
1-N,1-N-dimethylbut-3-yne-1,2-diamine
CID 79095341
4,5-dimethyl-3-propan-2-ylhex-1-yne
CID 91321412
1-trimethylsilylprop-2-yn-1-amine
CID 151117017
3-ethyl-4-methylpent-1-yne
CID 15093812
4-aminohex-1-en-5-yn-3-ol
CID 20545573
2-amino-3-methylpent-4-yn-1-ol
CID 123553773
(3S,4S)-4-phenylmethoxypent-1-yn-3-amine
CID 130942712

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methylpent-1-yn-3-amine?
The IUPAC name of (3S)-4-methylpent-1-yn-3-amine (CID 11579133) is (3S)-4-methylpent-1-yn-3-amine.
What is the SMILES notation for (3S)-4-methylpent-1-yn-3-amine?
The canonical SMILES for (3S)-4-methylpent-1-yn-3-amine is C#C[C@@H](N)C(C)C.
What is the InChIKey of (3S)-4-methylpent-1-yn-3-amine?
The InChIKey is IGJJBZHFJDQVAV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6(7)5(2)3/h1,5-6H,7H2,2-3H3/t6-/m1/s1.
What are the key properties of (3S)-4-methylpent-1-yn-3-amine?
(3S)-4-methylpent-1-yn-3-amine has a molecular weight of 97.16 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methylpent-1-yn-3-amine is sourced from PubChem (CID 11579133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).