(2S)-N-methyl-N-prop-2-ynylbutan-2-amine

C8H15N — CID 15688751

IUPAC(2S)-N-methyl-N-prop-2-ynylbutan-2-amine
SMILESC#CCN(C)[C@@H](C)CC
InChIInChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3/t8-/m0/s1
InChIKeyCJRQAPHWCGEATR-QMMMGPOBSA-N
MW125.21 g/mol
LogP1.35
Rot. Bonds3

About (2S)-N-methyl-N-prop-2-ynylbutan-2-amine

(2S)-N-methyl-N-prop-2-ynylbutan-2-amine (PubChem CID 15688751) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2S)-N-methyl-N-prop-2-ynylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-N-prop-2-ynylbutan-2-amine
PubChem CID15688751
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2S)-N-methyl-N-prop-2-ynylbutan-2-amine
SMILESC#CCN(C)[C@@H](C)CC
InChIInChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3/t8-/m0/s1
InChIKeyCJRQAPHWCGEATR-QMMMGPOBSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-prop-2-ynylbutan-2-amine
CID 3072560
N-methyl-N-prop-2-ynylbutan-2-amine;hydrochloride
CID 3072559
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 62560907
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine chloride
CID 45114220
(2S)-1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine
CID 14771956
N-methyl-1-(4-nitrophenyl)-N-prop-2-ynylpropan-2-amine;hydrochloride
CID 71751047
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
N-methyl-N-[1-(4-methylphenyl)ethyl]prop-2-yn-1-amine
CID 59766585
N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine
CID 87370811
2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine
CID 126994512
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-prop-2-ynylbutan-2-amine?
The IUPAC name of (2S)-N-methyl-N-prop-2-ynylbutan-2-amine (CID 15688751) is (2S)-N-methyl-N-prop-2-ynylbutan-2-amine.
What is the SMILES notation for (2S)-N-methyl-N-prop-2-ynylbutan-2-amine?
The canonical SMILES for (2S)-N-methyl-N-prop-2-ynylbutan-2-amine is C#CCN(C)[C@@H](C)CC.
What is the InChIKey of (2S)-N-methyl-N-prop-2-ynylbutan-2-amine?
The InChIKey is CJRQAPHWCGEATR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3/t8-/m0/s1.
What are the key properties of (2S)-N-methyl-N-prop-2-ynylbutan-2-amine?
(2S)-N-methyl-N-prop-2-ynylbutan-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-prop-2-ynylbutan-2-amine is sourced from PubChem (CID 15688751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).