3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine

C18H29N — CID 79352188

IUPAC3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
SMILESCC(CCNCC1C(C)(C)C1(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-14(15-9-7-6-8-10-15)11-12-19-13-16-17(2,3)18(16,4)5/h6-10,14,16,19H,11-13H2,1-5H3
InChIKeyAVCVXSACANAATK-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.45
Rot. Bonds6

About 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine

3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine (PubChem CID 79352188) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
PubChem CID79352188
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
SMILESCC(CCNCC1C(C)(C)C1(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-14(15-9-7-6-8-10-15)11-12-19-13-16-17(2,3)18(16,4)5/h6-10,14,16,19H,11-13H2,1-5H3
InChIKeyAVCVXSACANAATK-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
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

2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
CID 79351956
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
N-[(2-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995
N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylbutan-1-amine
CID 107094689
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 63896874
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
1-(3-phenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62987535
2,2-dimethyl-4-(3-phenylbutylamino)butanoic acid
CID 122084441
N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
CID 55154070

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine?
The IUPAC name of 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine (CID 79352188) is 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine.
What is the SMILES notation for 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine?
The canonical SMILES for 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine is CC(CCNCC1C(C)(C)C1(C)C)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine?
The InChIKey is AVCVXSACANAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(15-9-7-6-8-10-15)11-12-19-13-16-17(2,3)18(16,4)5/h6-10,14,16,19H,11-13H2,1-5H3.
What are the key properties of 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine?
3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine is sourced from PubChem (CID 79352188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).