3-(benzylamino)-4,4-dimethylpentan-1-ol

C14H23NO — CID 103949930

IUPAC3-(benzylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,3)13(9-10-16)15-11-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3
InChIKeyDIFFPRIGDUTSCP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.57
Rot. Bonds5

About 3-(benzylamino)-4,4-dimethylpentan-1-ol

3-(benzylamino)-4,4-dimethylpentan-1-ol (PubChem CID 103949930) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(benzylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)-4,4-dimethylpentan-1-ol
PubChem CID103949930
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(benzylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,3)13(9-10-16)15-11-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3
InChIKeyDIFFPRIGDUTSCP-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
N-benzyl-2,2-dimethylpentan-3-amine
CID 11206526
3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 113357124
4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol
CID 114176802
4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol
CID 106349255
[2-(benzylamino)-3,3-dimethylbutyl] carbamate
CID 91176107
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409
4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 106348987
3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-phenylpropanoic acid
CID 106349646

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(benzylamino)-4,4-dimethylpentan-1-ol (CID 103949930) is 3-(benzylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(benzylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(benzylamino)-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is DIFFPRIGDUTSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)13(9-10-16)15-11-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3.
What are the key properties of 3-(benzylamino)-4,4-dimethylpentan-1-ol?
3-(benzylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103949930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).