ethane;(2S)-N-methylpentan-2-amine

C8H21N — CID 143603159

IUPACethane;(2S)-N-methylpentan-2-amine
SMILESCC.CCC[C@H](C)NC
InChIInChI=1S/C6H15N.C2H6/c1-4-5-6(2)7-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-;/m0./s1
InChIKeyXAQDYHZETNXDKG-RGMNGODLSA-N
MW131.26 g/mol
LogP2.42
Rot. Bonds3

About ethane;(2S)-N-methylpentan-2-amine

ethane;(2S)-N-methylpentan-2-amine (PubChem CID 143603159) has the molecular formula C8H21N and a molecular weight of 131.26 g/mol. Its IUPAC name is ethane;(2S)-N-methylpentan-2-amine.

Molecular Properties

Compound Nameethane;(2S)-N-methylpentan-2-amine
PubChem CID143603159
Molecular FormulaC8H21N
Molecular Weight131.26 g/mol
Exact Mass131.17
IUPAC Nameethane;(2S)-N-methylpentan-2-amine
SMILESCC.CCC[C@H](C)NC
InChIInChI=1S/C6H15N.C2H6/c1-4-5-6(2)7-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-;/m0./s1
InChIKeyXAQDYHZETNXDKG-RGMNGODLSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylpentan-2-amine;hydrochloride
CID 42919600
butane;ethane;N-methylbutan-2-amine
CID 145323571
N-methyltetradecan-2-amine
CID 54073704
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
4-N-methyl-1-N-octyl-1-N-pentadecylpentane-1,4-diamine
CID 170755203
ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 153352387
cyclohexane;N,4-dimethylheptan-2-amine
CID 144521968
(2R)-N-chloropentan-2-amine
CID 88575991
(2R,5R)-5-(methylamino)hexan-2-ol
CID 148896178
N-methyl-6-pentylsulfanylhexan-2-amine
CID 107763169
2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine
CID 170105864
ethane;2-methylpentane
CID 143713716

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-N-methylpentan-2-amine?
The IUPAC name of ethane;(2S)-N-methylpentan-2-amine (CID 143603159) is ethane;(2S)-N-methylpentan-2-amine.
What is the SMILES notation for ethane;(2S)-N-methylpentan-2-amine?
The canonical SMILES for ethane;(2S)-N-methylpentan-2-amine is CC.CCC[C@H](C)NC.
What is the InChIKey of ethane;(2S)-N-methylpentan-2-amine?
The InChIKey is XAQDYHZETNXDKG-RGMNGODLSA-N. The full InChI is InChI=1S/C6H15N.C2H6/c1-4-5-6(2)7-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-;/m0./s1.
What are the key properties of ethane;(2S)-N-methylpentan-2-amine?
ethane;(2S)-N-methylpentan-2-amine has a molecular weight of 131.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-N-methylpentan-2-amine is sourced from PubChem (CID 143603159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).