(4S)-4-aminopentan-1-ol;hydrochloride

C5H14ClNO — CID 170901051

IUPAC(4S)-4-aminopentan-1-ol;hydrochloride
SMILESC[C@H](N)CCCO.Cl
InChIInChI=1S/C5H13NO.ClH/c1-5(6)3-2-4-7;/h5,7H,2-4,6H2,1H3;1H/t5-;/m0./s1
InChIKeyDLOGMTRDVUURIL-JEDNCBNOSA-N
MW139.63 g/mol
LogP0.53
Rot. Bonds3

About (4S)-4-aminopentan-1-ol;hydrochloride

(4S)-4-aminopentan-1-ol;hydrochloride (PubChem CID 170901051) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is (4S)-4-aminopentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-aminopentan-1-ol;hydrochloride
PubChem CID170901051
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name(4S)-4-aminopentan-1-ol;hydrochloride
SMILESC[C@H](N)CCCO.Cl
InChIInChI=1S/C5H13NO.ClH/c1-5(6)3-2-4-7;/h5,7H,2-4,6H2,1H3;1H/t5-;/m0./s1
InChIKeyDLOGMTRDVUURIL-JEDNCBNOSA-N
XLogP0.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-aminopentan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-aminopentan-1-ol;hydrochloride (CID 170901051) is (4S)-4-aminopentan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-aminopentan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-aminopentan-1-ol;hydrochloride is C[C@H](N)CCCO.Cl.
What is the InChIKey of (4S)-4-aminopentan-1-ol;hydrochloride?
The InChIKey is DLOGMTRDVUURIL-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-5(6)3-2-4-7;/h5,7H,2-4,6H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (4S)-4-aminopentan-1-ol;hydrochloride?
(4S)-4-aminopentan-1-ol;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-aminopentan-1-ol;hydrochloride is sourced from PubChem (CID 170901051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).