3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol

C16H25NO — CID 66007275

IUPAC3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
SMILESCCCCC(NCC1CC(O)C1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-3-9-16(14-7-5-4-6-8-14)17-12-13-10-15(18)11-13/h4-8,13,15-18H,2-3,9-12H2,1H3
InChIKeyHDWROKCNRKANQN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds7

About 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol

3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol (PubChem CID 66007275) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
PubChem CID66007275
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
SMILESCCCCC(NCC1CC(O)C1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-3-9-16(14-7-5-4-6-8-14)17-12-13-10-15(18)11-13/h4-8,13,15-18H,2-3,9-12H2,1H3
InChIKeyHDWROKCNRKANQN-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
CID 64929462
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
CID 66004568
1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine
CID 80584230
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
CID 66005834
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894
4-N-(1-phenylpentyl)cyclohexane-1,4-diamine
CID 62319614
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
[(1S)-1-phenylpentyl]hydrazine
CID 124537681

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol (CID 66007275) is 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol is CCCCC(NCC1CC(O)C1)c1ccccc1.
What is the InChIKey of 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol?
The InChIKey is HDWROKCNRKANQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-9-16(14-7-5-4-6-8-14)17-12-13-10-15(18)11-13/h4-8,13,15-18H,2-3,9-12H2,1H3.
What are the key properties of 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol?
3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 66007275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).