N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine

C18H29NO — CID 103082894

IUPACN-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NC(CC(C)(C)C)c2ccccc2)C1
InChIInChI=1S/C18H29NO/c1-18(2,3)13-17(14-8-6-5-7-9-14)19-15-10-11-16(12-15)20-4/h5-9,15-17,19H,10-13H2,1-4H3
InChIKeyRSELGSCJFXHMIP-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds5

About N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine

N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine (PubChem CID 103082894) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine
PubChem CID103082894
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NC(CC(C)(C)C)c2ccccc2)C1
InChIInChI=1S/C18H29NO/c1-18(2,3)13-17(14-8-6-5-7-9-14)19-15-10-11-16(12-15)20-4/h5-9,15-17,19H,10-13H2,1-4H3
InChIKeyRSELGSCJFXHMIP-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-3-methylcyclopentan-1-amine
CID 64502336
N-(3,3-dimethyl-1-phenylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64746392
N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine
CID 54906460
N-(3,3-dimethyl-1-phenylbutyl)-2-methoxycyclopentan-1-amine
CID 62087135
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-(4-bromophenyl)propyl]-3-methoxycyclopentan-1-amine
CID 103080693
N-(3,3-dimethyl-1-phenylbutyl)azepan-4-amine
CID 103981437
N-(3,3-dimethyl-1-phenylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 43740445
N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
CID 63462773
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
CID 104591432

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine (CID 103082894) is N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine is COC1CCC(NC(CC(C)(C)C)c2ccccc2)C1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine?
The InChIKey is RSELGSCJFXHMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)13-17(14-8-6-5-7-9-14)19-15-10-11-16(12-15)20-4/h5-9,15-17,19H,10-13H2,1-4H3.
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine?
N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103082894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).