N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine

C18H29N — CID 64999693

IUPACN-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(C)c(C)c2)CC(CC)C1
InChIInChI=1S/C18H29N/c1-5-9-19-13-18(11-16(6-2)12-18)17-8-7-14(3)15(4)10-17/h7-8,10,16,19H,5-6,9,11-13H2,1-4H3
InChIKeyVAYJBLUJVLHNLE-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.36
Rot. Bonds6

About N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine

N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine (PubChem CID 64999693) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
PubChem CID64999693
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(C)c(C)c2)CC(CC)C1
InChIInChI=1S/C18H29N/c1-5-9-19-13-18(11-16(6-2)12-18)17-8-7-14(3)15(4)10-17/h7-8,10,16,19H,5-6,9,11-13H2,1-4H3
InChIKeyVAYJBLUJVLHNLE-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-ethyl-1-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 64999540
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64998176
N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine
CID 64997601
N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 64998082
N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65011198
N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
CID 64998005
N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine
CID 64999135
N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525440
N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65010957
N-[[1-(3,4-dimethoxyphenyl)-3,3-dimethylcyclobutyl]methyl]propan-1-amine
CID 64998019
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
CID 65014519

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine (CID 64999693) is N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine is CCCNCC1(c2ccc(C)c(C)c2)CC(CC)C1.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine?
The InChIKey is VAYJBLUJVLHNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-9-19-13-18(11-16(6-2)12-18)17-8-7-14(3)15(4)10-17/h7-8,10,16,19H,5-6,9,11-13H2,1-4H3.
What are the key properties of N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine?
N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 64999693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).