2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine

C18H29NO — CID 79861209

IUPAC2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
SMILESCCCOc1ccc(C(C)NC2CCCC2(C)C)cc1
InChIInChI=1S/C18H29NO/c1-5-13-20-16-10-8-15(9-11-16)14(2)19-17-7-6-12-18(17,3)4/h8-11,14,17,19H,5-7,12-13H2,1-4H3
InChIKeyCEMPABJVHHUGBO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.70
Rot. Bonds6

About 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine

2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine (PubChem CID 79861209) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
PubChem CID79861209
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
SMILESCCCOc1ccc(C(C)NC2CCCC2(C)C)cc1
InChIInChI=1S/C18H29NO/c1-5-13-20-16-10-8-15(9-11-16)14(2)19-17-7-6-12-18(17,3)4/h8-11,14,17,19H,5-7,12-13H2,1-4H3
InChIKeyCEMPABJVHHUGBO-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249
N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine
CID 61170753
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785946
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107386604
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107269688
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine (CID 79861209) is 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine is CCCOc1ccc(C(C)NC2CCCC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is CEMPABJVHHUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-13-20-16-10-8-15(9-11-16)14(2)19-17-7-6-12-18(17,3)4/h8-11,14,17,19H,5-7,12-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine?
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79861209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).