2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine

C15H30N2 — CID 55161540

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1N1CCCC1(C)C
InChIInChI=1S/C15H30N2/c1-4-16-13-9-6-5-7-10-14(13)17-12-8-11-15(17,2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyXDXUURVYJDXWAH-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds3

About 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine

2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine (PubChem CID 55161540) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine
PubChem CID55161540
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1N1CCCC1(C)C
InChIInChI=1S/C15H30N2/c1-4-16-13-9-6-5-7-10-14(13)17-12-8-11-15(17,2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyXDXUURVYJDXWAH-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine
CID 63219990
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)cyclooctan-1-amine
CID 107392190
N-ethyl-2-(4-ethyl-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 63160766
N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine
CID 63469025
1-[2-(2,2-dimethylpyrrolidin-1-yl)cyclopentyl]-N-methylmethanamine
CID 112546149
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859592
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
1-[2-(2,2-dimethylpyrrolidin-1-yl)cyclobutyl]-N-methylmethanamine
CID 80999102
N-ethyl-2-(4-propylpiperidin-1-yl)cyclooctan-1-amine
CID 63469847
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine (CID 55161540) is 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1N1CCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine?
The InChIKey is XDXUURVYJDXWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-16-13-9-6-5-7-10-14(13)17-12-8-11-15(17,2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine?
2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 55161540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).