N-benzyl-1-cyclobutylmethanamine;methanol

C13H21NO — CID 170726729

IUPACN-benzyl-1-cyclobutylmethanamine;methanol
SMILESCO.c1ccc(CNCC2CCC2)cc1
InChIInChI=1S/C12H17N.CH4O/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-12;1-2/h1-3,5-6,12-13H,4,7-10H2;2H,1H3
InChIKeyDGPDGRKANWHOPR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds4

About N-benzyl-1-cyclobutylmethanamine;methanol

N-benzyl-1-cyclobutylmethanamine;methanol (PubChem CID 170726729) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-benzyl-1-cyclobutylmethanamine;methanol.

Molecular Properties

Compound NameN-benzyl-1-cyclobutylmethanamine;methanol
PubChem CID170726729
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-benzyl-1-cyclobutylmethanamine;methanol
SMILESCO.c1ccc(CNCC2CCC2)cc1
InChIInChI=1S/C12H17N.CH4O/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-12;1-2/h1-3,5-6,12-13H,4,7-10H2;2H,1H3
InChIKeyDGPDGRKANWHOPR-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
benzaldehyde;N-benzyl-1-cyclopropylmethanamine
CID 158539783
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
4-[(benzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid
CID 90015837
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclobutylmethanamine;methanol?
The IUPAC name of N-benzyl-1-cyclobutylmethanamine;methanol (CID 170726729) is N-benzyl-1-cyclobutylmethanamine;methanol.
What is the SMILES notation for N-benzyl-1-cyclobutylmethanamine;methanol?
The canonical SMILES for N-benzyl-1-cyclobutylmethanamine;methanol is CO.c1ccc(CNCC2CCC2)cc1.
What is the InChIKey of N-benzyl-1-cyclobutylmethanamine;methanol?
The InChIKey is DGPDGRKANWHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.CH4O/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-12;1-2/h1-3,5-6,12-13H,4,7-10H2;2H,1H3.
What are the key properties of N-benzyl-1-cyclobutylmethanamine;methanol?
N-benzyl-1-cyclobutylmethanamine;methanol has a molecular weight of 207.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclobutylmethanamine;methanol is sourced from PubChem (CID 170726729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).