(3R,4R)-4-methylhex-1-yn-3-amine

C7H13N — CID 130642169

IUPAC(3R,4R)-4-methylhex-1-yn-3-amine
SMILESC#C[C@H](N)[C@H](C)CC
InChIInChI=1S/C7H13N/c1-4-6(3)7(8)5-2/h2,6-7H,4,8H2,1,3H3/t6-,7+/m1/s1
InChIKeyVOCRJRSSMUVEOT-RQJHMYQMSA-N
MW111.19 g/mol
LogP0.99
Rot. Bonds2

About (3R,4R)-4-methylhex-1-yn-3-amine

(3R,4R)-4-methylhex-1-yn-3-amine (PubChem CID 130642169) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (3R,4R)-4-methylhex-1-yn-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-methylhex-1-yn-3-amine
PubChem CID130642169
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(3R,4R)-4-methylhex-1-yn-3-amine
SMILESC#C[C@H](N)[C@H](C)CC
InChIInChI=1S/C7H13N/c1-4-6(3)7(8)5-2/h2,6-7H,4,8H2,1,3H3/t6-,7+/m1/s1
InChIKeyVOCRJRSSMUVEOT-RQJHMYQMSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 50.99
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

(3S)-4-methylpent-1-yn-3-amine
CID 11579133
3-ethyl-4-methylpent-1-yne
CID 15093812
4-methylhex-1-yn-3-ol
CID 64914374
4-methyl-3-propan-2-ylhex-1-yne
CID 153404672
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
pent-1-yn-3-amine;hydrochloride
CID 75480843
3-ethylpent-4-yne-1,2-diamine
CID 163613012
(3S,4S)-4-phenylmethoxypent-1-yn-3-amine
CID 130942712
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
(4R)-2,4-dimethylhexan-3-amine
CID 59252919
4-methylhexane-2,3-diamine
CID 123983512
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methylhex-1-yn-3-amine?
The IUPAC name of (3R,4R)-4-methylhex-1-yn-3-amine (CID 130642169) is (3R,4R)-4-methylhex-1-yn-3-amine.
What is the SMILES notation for (3R,4R)-4-methylhex-1-yn-3-amine?
The canonical SMILES for (3R,4R)-4-methylhex-1-yn-3-amine is C#C[C@H](N)[C@H](C)CC.
What is the InChIKey of (3R,4R)-4-methylhex-1-yn-3-amine?
The InChIKey is VOCRJRSSMUVEOT-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13N/c1-4-6(3)7(8)5-2/h2,6-7H,4,8H2,1,3H3/t6-,7+/m1/s1.
What are the key properties of (3R,4R)-4-methylhex-1-yn-3-amine?
(3R,4R)-4-methylhex-1-yn-3-amine has a molecular weight of 111.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methylhex-1-yn-3-amine is sourced from PubChem (CID 130642169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).