N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine

C18H29N — CID 66258837

IUPACN-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine
SMILESCCC(C)(C)c1ccc(CCCCNC2CC2)cc1
InChIInChI=1S/C18H29N/c1-4-18(2,3)16-10-8-15(9-11-16)7-5-6-14-19-17-12-13-17/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyRGSKLWWMQDHSAF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.45
Rot. Bonds8

About N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine

N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine (PubChem CID 66258837) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine
PubChem CID66258837
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine
SMILESCCC(C)(C)c1ccc(CCCCNC2CC2)cc1
InChIInChI=1S/C18H29N/c1-4-18(2,3)16-10-8-15(9-11-16)7-5-6-14-19-17-12-13-17/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyRGSKLWWMQDHSAF-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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'}

Analyze N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-tert-butyl-4-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66260180
N-[4-(4-iodophenyl)butyl]cyclopropanamine
CID 65489763
N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
CID 105347923
4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 66258059
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
4-hexylphenol;4-(2-methylbutan-2-yl)phenol
CID 70208179
N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine
CID 66336792
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine (CID 66258837) is N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine is CCC(C)(C)c1ccc(CCCCNC2CC2)cc1.
What is the InChIKey of N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine?
The InChIKey is RGSKLWWMQDHSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-18(2,3)16-10-8-15(9-11-16)7-5-6-14-19-17-12-13-17/h8-11,17,19H,4-7,12-14H2,1-3H3.
What are the key properties of N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine?
N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine has a molecular weight of 259.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine is sourced from PubChem (CID 66258837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).