N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine

C18H36N2 — CID 114596778

IUPACN-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine
SMILESCCNC1C(CN2CC(C)CC(C)C2C)CCC1(C)C
InChIInChI=1S/C18H36N2/c1-7-19-17-16(8-9-18(17,5)6)12-20-11-13(2)10-14(3)15(20)4/h13-17,19H,7-12H2,1-6H3
InChIKeyMRIJNRBAUYQBJY-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.77
Rot. Bonds4

About N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 114596778) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine
PubChem CID114596778
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine
SMILESCCNC1C(CN2CC(C)CC(C)C2C)CCC1(C)C
InChIInChI=1S/C18H36N2/c1-7-19-17-16(8-9-18(17,5)6)12-20-11-13(2)10-14(3)15(20)4/h13-17,19H,7-12H2,1-6H3
InChIKeyMRIJNRBAUYQBJY-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-5-[(2-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79865475
6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79848332
5-[(2,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79855959
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865810
N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855421
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842625
6-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79853171
1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-3-methylpiperidin-4-ol
CID 114681978
N-ethyl-2,2-dimethyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 79842864
5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 107459384
N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 114597089
5-(2,5-dimethylpiperidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine (CID 114596778) is N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine is CCNC1C(CN2CC(C)CC(C)C2C)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is MRIJNRBAUYQBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-7-19-17-16(8-9-18(17,5)6)12-20-11-13(2)10-14(3)15(20)4/h13-17,19H,7-12H2,1-6H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.77, 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-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114596778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).