4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine

C12H24N2 — CID 23627585

IUPAC4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
SMILESNC1CCC(CCN2CCCC2)CC1
InChIInChI=1S/C12H24N2/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h11-12H,1-10,13H2
InChIKeyJWQYOXCOPTYWOF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds3

About 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine

4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine (PubChem CID 23627585) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
PubChem CID23627585
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
SMILESNC1CCC(CCN2CCCC2)CC1
InChIInChI=1S/C12H24N2/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h11-12H,1-10,13H2
InChIKeyJWQYOXCOPTYWOF-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine (CID 23627585) is 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine is NC1CCC(CCN2CCCC2)CC1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The InChIKey is JWQYOXCOPTYWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h11-12H,1-10,13H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 23627585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).