ethane;(2S)-2-methylbutan-1-amine

C7H19N — CID 168995641

IUPACethane;(2S)-2-methylbutan-1-amine
SMILESCC.CC[C@H](C)CN
InChIInChI=1S/C5H13N.C2H6/c1-3-5(2)4-6;1-2/h5H,3-4,6H2,1-2H3;1-2H3/t5-;/m0./s1
InChIKeyJCVUNWWZXKAMJD-JEDNCBNOSA-N
MW117.24 g/mol
LogP2.02
Rot. Bonds2

About ethane;(2S)-2-methylbutan-1-amine

ethane;(2S)-2-methylbutan-1-amine (PubChem CID 168995641) has the molecular formula C7H19N and a molecular weight of 117.24 g/mol. Its IUPAC name is ethane;(2S)-2-methylbutan-1-amine.

Molecular Properties

Compound Nameethane;(2S)-2-methylbutan-1-amine
PubChem CID168995641
Molecular FormulaC7H19N
Molecular Weight117.24 g/mol
Exact Mass117.15
IUPAC Nameethane;(2S)-2-methylbutan-1-amine
SMILESCC.CC[C@H](C)CN
InChIInChI=1S/C5H13N.C2H6/c1-3-5(2)4-6;1-2/h5H,3-4,6H2,1-2H3;1-2H3/t5-;/m0./s1
InChIKeyJCVUNWWZXKAMJD-JEDNCBNOSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methylpentane
CID 91147782
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
(2R)-3-amino-2-methylpropane-1-thiol
CID 92974818
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
3,5-dimethylheptane;ethane
CID 172617343
(4S)-2-methylpentane-1,4-diamine
CID 170201725
(2S)-4-methylhexan-2-amine
CID 141201507
3-methylpentane;hydrate
CID 144914279
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
methane;3-methylpentane
CID 157218592
ethane;5-methylheptan-1-amine
CID 143088899

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-methylbutan-1-amine?
The IUPAC name of ethane;(2S)-2-methylbutan-1-amine (CID 168995641) is ethane;(2S)-2-methylbutan-1-amine.
What is the SMILES notation for ethane;(2S)-2-methylbutan-1-amine?
The canonical SMILES for ethane;(2S)-2-methylbutan-1-amine is CC.CC[C@H](C)CN.
What is the InChIKey of ethane;(2S)-2-methylbutan-1-amine?
The InChIKey is JCVUNWWZXKAMJD-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H13N.C2H6/c1-3-5(2)4-6;1-2/h5H,3-4,6H2,1-2H3;1-2H3/t5-;/m0./s1.
What are the key properties of ethane;(2S)-2-methylbutan-1-amine?
ethane;(2S)-2-methylbutan-1-amine has a molecular weight of 117.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-methylbutan-1-amine is sourced from PubChem (CID 168995641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).