N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine

C14H22N2 — CID 82171579

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)CC1(CN)CCC1
InChIInChI=1S/C14H22N2/c1-16(10-13-6-3-2-4-7-13)12-14(11-15)8-5-9-14/h2-4,6-7H,5,8-12,15H2,1H3
InChIKeyDXGKYCBVDWEPDQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.25
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 82171579) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
PubChem CID82171579
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)CC1(CN)CCC1
InChIInChI=1S/C14H22N2/c1-16(10-13-6-3-2-4-7-13)12-14(11-15)8-5-9-14/h2-4,6-7H,5,8-12,15H2,1H3
InChIKeyDXGKYCBVDWEPDQ-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 113311854
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
CID 65009198
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79842495
2-[[benzyl(methyl)amino]methyl]-2-methylcyclopentan-1-amine
CID 82768563

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine (CID 82171579) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)CC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is DXGKYCBVDWEPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(10-13-6-3-2-4-7-13)12-14(11-15)8-5-9-14/h2-4,6-7H,5,8-12,15H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 82171579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).