(2S)-pentan-2-amine

C5H13N — CID 6997344

IUPAC(2S)-pentan-2-amine
SMILESCCC[C@H](C)N
InChIInChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3/t5-/m0/s1
InChIKeyIGEIPFLJVCPEKU-YFKPBYRVSA-N
MW87.17 g/mol
LogP1.13
Rot. Bonds2

About (2S)-pentan-2-amine

(2S)-pentan-2-amine (PubChem CID 6997344) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is (2S)-pentan-2-amine.

Molecular Properties

Compound Name(2S)-pentan-2-amine
PubChem CID6997344
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Name(2S)-pentan-2-amine
SMILESCCC[C@H](C)N
InChIInChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3/t5-/m0/s1
InChIKeyIGEIPFLJVCPEKU-YFKPBYRVSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pentan-2-amine;propane
CID 166536368
ethane;molecular hydrogen;pentan-2-amine
CID 178004416
(5R)-hexane-2,5-diamine
CID 144618459
4-propylsilylbutan-2-amine
CID 174914142
6-methylnonan-2-amine
CID 64502929
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
(2S)-tetradecan-2-amine
CID 25021238
(4R,5R)-octane-4,5-diamine
CID 13138963
dodecan-2-amine;hydrochloride
CID 86195878
tetradecan-2-amine;hydrobromide
CID 175070931
(Z)-dodec-6-en-2-amine
CID 55253643

Frequently Asked Questions

What is the IUPAC name of (2S)-pentan-2-amine?
The IUPAC name of (2S)-pentan-2-amine (CID 6997344) is (2S)-pentan-2-amine.
What is the SMILES notation for (2S)-pentan-2-amine?
The canonical SMILES for (2S)-pentan-2-amine is CCC[C@H](C)N.
What is the InChIKey of (2S)-pentan-2-amine?
The InChIKey is IGEIPFLJVCPEKU-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-pentan-2-amine?
(2S)-pentan-2-amine has a molecular weight of 87.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pentan-2-amine is sourced from PubChem (CID 6997344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).