N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine

C18H36N2 — CID 63466183

IUPACN-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
SMILESCCNC1CCCCCCCCCCC1N1CCCC1
InChIInChI=1S/C18H36N2/c1-2-19-17-13-9-7-5-3-4-6-8-10-14-18(17)20-15-11-12-16-20/h17-19H,2-16H2,1H3
InChIKeyQXZWFWKPNSGWRW-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.34
Rot. Bonds3

About N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine

N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine (PubChem CID 63466183) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
PubChem CID63466183
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
SMILESCCNC1CCCCCCCCCCC1N1CCCC1
InChIInChI=1S/C18H36N2/c1-2-19-17-13-9-7-5-3-4-6-8-10-14-18(17)20-15-11-12-16-20/h17-19H,2-16H2,1H3
InChIKeyQXZWFWKPNSGWRW-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine?
The IUPAC name of N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine (CID 63466183) is N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine.
What is the SMILES notation for N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine?
The canonical SMILES for N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine is CCNC1CCCCCCCCCCC1N1CCCC1.
What is the InChIKey of N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine?
The InChIKey is QXZWFWKPNSGWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-2-19-17-13-9-7-5-3-4-6-8-10-14-18(17)20-15-11-12-16-20/h17-19H,2-16H2,1H3.
What are the key properties of N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine?
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine is sourced from PubChem (CID 63466183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).