N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine

C20H33N — CID 43495413

IUPACN-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)c(C)c(C)c(C)c1C)C1CCCC1
InChIInChI=1S/C20H33N/c1-7-12-21-20(18-10-8-9-11-18)19-16(5)14(3)13(2)15(4)17(19)6/h18,20-21H,7-12H2,1-6H3
InChIKeyHDMJZCULNNGVBO-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.46
Rot. Bonds5

About N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine

N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine (PubChem CID 43495413) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
PubChem CID43495413
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)c(C)c(C)c(C)c1C)C1CCCC1
InChIInChI=1S/C20H33N/c1-7-12-21-20(18-10-8-9-11-18)19-16(5)14(3)13(2)15(4)17(19)6/h18,20-21H,7-12H2,1-6H3
InChIKeyHDMJZCULNNGVBO-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine 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-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 43489814
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[cyclopentyl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374362

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine (CID 43495413) is N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine is CCCNC(c1c(C)c(C)c(C)c(C)c1C)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine?
The InChIKey is HDMJZCULNNGVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-7-12-21-20(18-10-8-9-11-18)19-16(5)14(3)13(2)15(4)17(19)6/h18,20-21H,7-12H2,1-6H3.
What are the key properties of N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine?
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).