pentan-2-amine

C5H13N — CID 12246

IUPACpentan-2-amine
SMILESCCCC(C)N
InChIInChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKeyIGEIPFLJVCPEKU-UHFFFAOYSA-N
MW87.17 g/mol
LogP1.13
Rot. Bonds2

About pentan-2-amine

pentan-2-amine (PubChem CID 12246) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is pentan-2-amine.

Molecular Properties

Compound Namepentan-2-amine
PubChem CID12246
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Namepentan-2-amine
SMILESCCCC(C)N
InChIInChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKeyIGEIPFLJVCPEKU-UHFFFAOYSA-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

Butylamine
CID 8007
Sec-Butylamine
CID 24874
Pentylamine
CID 8060
Isopropylamine
CID 6363
3-Pentanamine
CID 12019
1,3-Diaminopentane
CID 102444
2-Butanamine, (S)-
CID 6713753
1,3-Butanediamine
CID 61136
4-Heptanamine
CID 38665
2-Hexanamine
CID 21405
(R)-sec-butylamine
CID 2724537
Isopropylaminium
CID 3364502

Frequently Asked Questions

What is the IUPAC name of pentan-2-amine?
The IUPAC name of pentan-2-amine (CID 12246) is pentan-2-amine.
What is the SMILES notation for pentan-2-amine?
The canonical SMILES for pentan-2-amine is CCCC(C)N.
What is the InChIKey of pentan-2-amine?
The InChIKey is IGEIPFLJVCPEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3.
What are the key properties of pentan-2-amine?
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 pentan-2-amine is sourced from PubChem (CID 12246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).