N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine

C19H38N2 — CID 63469025

IUPACN-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine
SMILESCCNC1CCCCCCCCCCC1N1CCCC1C
InChIInChI=1S/C19H38N2/c1-3-20-18-14-10-8-6-4-5-7-9-11-15-19(18)21-16-12-13-17(21)2/h17-20H,3-16H2,1-2H3
InChIKeyFKLOPVRHIIBXHB-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.73
Rot. Bonds3

About N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine

N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine (PubChem CID 63469025) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine
PubChem CID63469025
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine
SMILESCCNC1CCCCCCCCCCC1N1CCCC1C
InChIInChI=1S/C19H38N2/c1-3-20-18-14-10-8-6-4-5-7-9-11-15-19(18)21-16-12-13-17(21)2/h17-20H,3-16H2,1-2H3
InChIKeyFKLOPVRHIIBXHB-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine
CID 114086633
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332
N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63469389
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079
N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine
CID 79930957
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine
CID 63469924
2-(2-methylpyrrolidin-1-yl)cyclooctan-1-amine
CID 60973336
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylcyclohexan-1-amine
CID 65320976
N-ethyl-2-(4-propylpiperidin-1-yl)cycloheptan-1-amine
CID 63469846
N-ethyl-2-(4-propylpiperidin-1-yl)cyclooctan-1-amine
CID 63469847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine (CID 63469025) is N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine is CCNC1CCCCCCCCCCC1N1CCCC1C.
What is the InChIKey of N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine?
The InChIKey is FKLOPVRHIIBXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-20-18-14-10-8-6-4-5-7-9-11-15-19(18)21-16-12-13-17(21)2/h17-20H,3-16H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine?
N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine is sourced from PubChem (CID 63469025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).