N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine

C18H29N — CID 63462773

IUPACN-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-14-9-8-12-16(14)19-17(13-18(2,3)4)15-10-6-5-7-11-15/h5-7,10-11,14,16-17,19H,8-9,12-13H2,1-4H3
InChIKeyAHTXRSTWPHGUFI-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.94
Rot. Bonds4

About N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine

N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine (PubChem CID 63462773) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
PubChem CID63462773
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-14-9-8-12-16(14)19-17(13-18(2,3)4)15-10-6-5-7-11-15/h5-7,10-11,14,16-17,19H,8-9,12-13H2,1-4H3
InChIKeyAHTXRSTWPHGUFI-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 43740445
N-(3,3-dimethyl-1-phenylbutyl)-2-methoxycyclopentan-1-amine
CID 62087135
N-(3,3-dimethyl-1-phenylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64746392
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
N-(3,3-dimethyl-1-phenylbutyl)-3-methylcyclopentan-1-amine
CID 64502336
N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine
CID 54906460
N-(3,3-dimethyl-1-phenylbutyl)azepan-4-amine
CID 103981437
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine
CID 63335747
N-(3,3-dimethyl-1-phenylbutyl)-1,1-dioxothian-4-amine
CID 43740500
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine (CID 63462773) is N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine is CC1CCCC1NC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine?
The InChIKey is AHTXRSTWPHGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-9-8-12-16(14)19-17(13-18(2,3)4)15-10-6-5-7-11-15/h5-7,10-11,14,16-17,19H,8-9,12-13H2,1-4H3.
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine?
N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63462773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).