N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine

C18H29N — CID 65014519

IUPACN-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2)CC(C(C)(C)C)C1
InChIInChI=1S/C18H29N/c1-5-11-19-14-18(15-9-7-6-8-10-15)12-16(13-18)17(2,3)4/h6-10,16,19H,5,11-14H2,1-4H3
InChIKeyGODHGVXYHYRVKI-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.38
Rot. Bonds5

About N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine

N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine (PubChem CID 65014519) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
PubChem CID65014519
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2)CC(C(C)(C)C)C1
InChIInChI=1S/C18H29N/c1-5-11-19-14-18(15-9-7-6-8-10-15)12-16(13-18)17(2,3)4/h6-10,16,19H,5,11-14H2,1-4H3
InChIKeyGODHGVXYHYRVKI-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.38
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-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine
CID 65014884
N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine
CID 65014479
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine
CID 65014569
N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine
CID 65014238
N-[[3-tert-butyl-1-(3-fluorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014382
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014971
N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014676
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65014923
N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014533
N-[[3-ethyl-1-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 64999540
N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
CID 64999693
N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62708377

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine (CID 65014519) is N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine is CCCNCC1(c2ccccc2)CC(C(C)(C)C)C1.
What is the InChIKey of N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine?
The InChIKey is GODHGVXYHYRVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-11-19-14-18(15-9-7-6-8-10-15)12-16(13-18)17(2,3)4/h6-10,16,19H,5,11-14H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine?
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 65014519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).