1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine

C15H30N2 — CID 115316266

IUPAC1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCC1CCCC(N2CCCC2CNC)CC1
InChIInChI=1S/C15H30N2/c1-3-13-6-4-7-14(10-9-13)17-11-5-8-15(17)12-16-2/h13-16H,3-12H2,1-2H3
InChIKeyISIDUHFPMQSCKV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds4

About 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine

1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 115316266) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID115316266
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCC1CCCC(N2CCCC2CNC)CC1
InChIInChI=1S/C15H30N2/c1-3-13-6-4-7-14(10-9-13)17-11-5-8-15(17)12-16-2/h13-16H,3-12H2,1-2H3
InChIKeyISIDUHFPMQSCKV-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-ethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
CID 64775306
N-methyl-1-(1-spiro[4.5]decan-8-ylpyrrolidin-2-yl)methanamine
CID 114818954
N-methyl-1-(1-piperidin-3-ylpyrrolidin-2-yl)methanamine;hydrochloride
CID 131086453
1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
CID 64625242
[1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
CID 65085772
1-(1-cyclopentylaziridin-2-yl)-N-methylmethanamine
CID 117010148
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine
CID 104973831
1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid
CID 65087297
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)piperidin-2-yl]-N-methylmethanamine
CID 55169879
1-[1-(2,6-dimethylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
CID 55167772
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine (CID 115316266) is 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine is CCC1CCCC(N2CCCC2CNC)CC1.
What is the InChIKey of 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is ISIDUHFPMQSCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-13-6-4-7-14(10-9-13)17-11-5-8-15(17)12-16-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115316266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).