N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine

C16H26N2 — CID 115245756

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCC2(CN)CCC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)10-18-12-16(11-17)8-3-9-16/h4-7,13,18H,3,8-12,17H2,1-2H3
InChIKeyYPVXUZWWKKXILF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 115245756) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID115245756
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCC2(CN)CCC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)10-18-12-16(11-17)8-3-9-16/h4-7,13,18H,3,8-12,17H2,1-2H3
InChIKeyYPVXUZWWKKXILF-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine
CID 70658066
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66025103
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
CID 115202512

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine (CID 115245756) is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(CNCC2(CN)CCC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is YPVXUZWWKKXILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)10-18-12-16(11-17)8-3-9-16/h4-7,13,18H,3,8-12,17H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 115245756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).