azane;3-benzylpentan-3-ol

C12H21NO — CID 173295411

IUPACazane;3-benzylpentan-3-ol
SMILESCCC(O)(CC)Cc1ccccc1.N
InChIInChI=1S/C12H18O.H3N/c1-3-12(13,4-2)10-11-8-6-5-7-9-11;/h5-9,13H,3-4,10H2,1-2H3;1H3
InChIKeyVRRJXCHCZDNDGG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.94
Rot. Bonds4

About azane;3-benzylpentan-3-ol

azane;3-benzylpentan-3-ol (PubChem CID 173295411) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is azane;3-benzylpentan-3-ol.

Molecular Properties

Compound Nameazane;3-benzylpentan-3-ol
PubChem CID173295411
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameazane;3-benzylpentan-3-ol
SMILESCCC(O)(CC)Cc1ccccc1.N
InChIInChI=1S/C12H18O.H3N/c1-3-12(13,4-2)10-11-8-6-5-7-9-11;/h5-9,13H,3-4,10H2,1-2H3;1H3
InChIKeyVRRJXCHCZDNDGG-UHFFFAOYSA-N
XLogP2.94
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-5-methylhexan-3-ol
CID 79008448
1-phenylpentane-2,2-diol
CID 56635388
3-[(4-methylphenyl)methyl]pentan-3-ol
CID 60799364
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
azane;2,2-dimethylbutylbenzene
CID 175285583
3-benzyl-5-ethylnonan-3-ol
CID 79007570
2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
CID 79008245
3-[(3-bromophenyl)methyl]pentan-3-ol
CID 60799504
8-benzylpentadecan-8-ol
CID 13016086
2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol
CID 79007567
2-benzyl-1-(3-bromo-4-fluorophenyl)butan-2-ol
CID 79007506
2-benzyl-2-hydroxybutanoic acid
CID 22013212

Frequently Asked Questions

What is the IUPAC name of azane;3-benzylpentan-3-ol?
The IUPAC name of azane;3-benzylpentan-3-ol (CID 173295411) is azane;3-benzylpentan-3-ol.
What is the SMILES notation for azane;3-benzylpentan-3-ol?
The canonical SMILES for azane;3-benzylpentan-3-ol is CCC(O)(CC)Cc1ccccc1.N.
What is the InChIKey of azane;3-benzylpentan-3-ol?
The InChIKey is VRRJXCHCZDNDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.H3N/c1-3-12(13,4-2)10-11-8-6-5-7-9-11;/h5-9,13H,3-4,10H2,1-2H3;1H3.
What are the key properties of azane;3-benzylpentan-3-ol?
azane;3-benzylpentan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-benzylpentan-3-ol is sourced from PubChem (CID 173295411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).