N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine

C18H29N — CID 65301069

IUPACN-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(CCCCCNC2CC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-10-8-15(9-11-16)7-5-4-6-14-19-17-12-13-17/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyUIVDKDUWHQJPAL-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.45
Rot. Bonds7

About N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine

N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine (PubChem CID 65301069) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
PubChem CID65301069
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(CCCCCNC2CC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-10-8-15(9-11-16)7-5-4-6-14-19-17-12-13-17/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyUIVDKDUWHQJPAL-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
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

N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine
CID 66258837
N-[4-(4-iodophenyl)butyl]cyclopropanamine
CID 65489763
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
CID 105347923
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
1-tert-butyl-4-undecylbenzene
CID 162402478
N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine
CID 66336792
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65308462
N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
CID 64646432

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine (CID 65301069) is N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine is CC(C)(C)c1ccc(CCCCCNC2CC2)cc1.
What is the InChIKey of N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine?
The InChIKey is UIVDKDUWHQJPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16-10-8-15(9-11-16)7-5-4-6-14-19-17-12-13-17/h8-11,17,19H,4-7,12-14H2,1-3H3.
What are the key properties of N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine?
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine has a molecular weight of 259.44 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 65301069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).