4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline

C16H26N2 — CID 63786126

IUPAC4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
SMILESCc1cc(CC(C)N)ccc1N(C)C1CCCC1
InChIInChI=1S/C16H26N2/c1-12-10-14(11-13(2)17)8-9-16(12)18(3)15-6-4-5-7-15/h8-10,13,15H,4-7,11,17H2,1-3H3
InChIKeyYJHUBLLZAJSCNX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds4

About 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline

4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline (PubChem CID 63786126) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
PubChem CID63786126
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
SMILESCc1cc(CC(C)N)ccc1N(C)C1CCCC1
InChIInChI=1S/C16H26N2/c1-12-10-14(11-13(2)17)8-9-16(12)18(3)15-6-4-5-7-15/h8-10,13,15H,4-7,11,17H2,1-3H3
InChIKeyYJHUBLLZAJSCNX-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,2-dimethylaniline
CID 63816201
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
CID 55222027
4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline
CID 107085198
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81166154
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
CID 63817388
N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 63793431
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline (CID 63786126) is 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline is Cc1cc(CC(C)N)ccc1N(C)C1CCCC1.
What is the InChIKey of 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline?
The InChIKey is YJHUBLLZAJSCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-10-14(11-13(2)17)8-9-16(12)18(3)15-6-4-5-7-15/h8-10,13,15H,4-7,11,17H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline?
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline is sourced from PubChem (CID 63786126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).