N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine

C18H29N — CID 83139717

IUPACN-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
SMILESCC(C)(C)C(CCCc1ccccc1)CNC1CC1
InChIInChI=1S/C18H29N/c1-18(2,3)16(14-19-17-12-13-17)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,7,10-14H2,1-3H3
InChIKeyWJGCEFKAPXSQPN-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds7

About N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine

N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine (PubChem CID 83139717) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
PubChem CID83139717
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
SMILESCC(C)(C)C(CCCc1ccccc1)CNC1CC1
InChIInChI=1S/C18H29N/c1-18(2,3)16(14-19-17-12-13-17)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,7,10-14H2,1-3H3
InChIKeyWJGCEFKAPXSQPN-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 83138928
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686
2-tert-butyl-N-(2-methylpropyl)-5-phenylpentan-1-amine
CID 83139154
N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine
CID 83139827
N-[3,3-dimethyl-2-(2-phenoxyethyl)butyl]cyclopropanamine
CID 83139427
[4-(bromomethyl)-5,5-dimethylhexyl]benzene
CID 83141914
N-(2-tert-butyloctyl)cyclopropanamine
CID 83138646
N-(2-tert-butylnonyl)cyclopropanamine
CID 83139036
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152
N-[2-(3-phenylpropoxy)propyl]cyclopentanamine
CID 62583680
N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83138940

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine?
The IUPAC name of N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine (CID 83139717) is N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine.
What is the SMILES notation for N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine?
The canonical SMILES for N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine is CC(C)(C)C(CCCc1ccccc1)CNC1CC1.
What is the InChIKey of N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine?
The InChIKey is WJGCEFKAPXSQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16(14-19-17-12-13-17)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,7,10-14H2,1-3H3.
What are the key properties of N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine?
N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine is sourced from PubChem (CID 83139717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).