N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine

C18H36N2 — CID 79859927

IUPACN-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
SMILESCCNC1C(N2CCCC(C(C)C)CC2)CCC1(C)C
InChIInChI=1S/C18H36N2/c1-6-19-17-16(9-11-18(17,4)5)20-12-7-8-15(10-13-20)14(2)3/h14-17,19H,6-13H2,1-5H3
InChIKeyCPEFEEXLRSUXTP-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds4

About N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine (PubChem CID 79859927) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
PubChem CID79859927
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
SMILESCCNC1C(N2CCCC(C(C)C)CC2)CCC1(C)C
InChIInChI=1S/C18H36N2/c1-6-19-17-16(9-11-18(17,4)5)20-12-7-8-15(10-13-20)14(2)3/h14-17,19H,6-13H2,1-5H3
InChIKeyCPEFEEXLRSUXTP-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79828790
N-ethyl-2,2-dimethyl-5-(4-propylpiperidin-1-yl)cyclopentan-1-amine
CID 79860145
2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
CID 79859767
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863853
5-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79859986
N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79860748
5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79865020
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 113335655
5-(2,3-dimethylpiperidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860800
N-ethyl-5-(2-ethylpiperidin-1-yl)-2,2-dimethylcyclopentan-1-amine
CID 79864032
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79835833
2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79865531

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine (CID 79859927) is N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine is CCNC1C(N2CCCC(C(C)C)CC2)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine?
The InChIKey is CPEFEEXLRSUXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-19-17-16(9-11-18(17,4)5)20-12-7-8-15(10-13-20)14(2)3/h14-17,19H,6-13H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 79859927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).