4-(benzylamino)pentan-1-ol

C12H19NO — CID 75356500

IUPAC4-(benzylamino)pentan-1-ol
SMILESCC(CCCO)NCc1ccccc1
InChIInChI=1S/C12H19NO/c1-11(6-5-9-14)13-10-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3
InChIKeyRVNBLRJNZBSXCR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.94
Rot. Bonds6

About 4-(benzylamino)pentan-1-ol

4-(benzylamino)pentan-1-ol (PubChem CID 75356500) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(benzylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(benzylamino)pentan-1-ol
PubChem CID75356500
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(benzylamino)pentan-1-ol
SMILESCC(CCCO)NCc1ccccc1
InChIInChI=1S/C12H19NO/c1-11(6-5-9-14)13-10-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3
InChIKeyRVNBLRJNZBSXCR-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
(2R)-N-benzylheptan-2-amine
CID 14923313
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
(2S)-N-benzyl-4-chlorobutan-2-amine
CID 10776031
N-benzyl-4-chlorobutan-2-amine
CID 85264317
(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
CID 97051682
3-N-benzyl-1-N-bromobutane-1,3-diamine
CID 123611017

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)pentan-1-ol?
The IUPAC name of 4-(benzylamino)pentan-1-ol (CID 75356500) is 4-(benzylamino)pentan-1-ol.
What is the SMILES notation for 4-(benzylamino)pentan-1-ol?
The canonical SMILES for 4-(benzylamino)pentan-1-ol is CC(CCCO)NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)pentan-1-ol?
The InChIKey is RVNBLRJNZBSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(6-5-9-14)13-10-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3.
What are the key properties of 4-(benzylamino)pentan-1-ol?
4-(benzylamino)pentan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)pentan-1-ol is sourced from PubChem (CID 75356500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).