1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine

C11H22N2 — CID 3159681

IUPAC1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
SMILESNC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C11H22N2/c12-11(6-2-1-3-7-11)10-13-8-4-5-9-13/h1-10,12H2
InChIKeyFFNSNUBYKYSWNB-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.74
Rot. Bonds2

About 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine

1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine (PubChem CID 3159681) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
PubChem CID3159681
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
SMILESNC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C11H22N2/c12-11(6-2-1-3-7-11)10-13-8-4-5-9-13/h1-10,12H2
InChIKeyFFNSNUBYKYSWNB-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine (CID 3159681) is 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine is NC1(CN2CCCC2)CCCCC1.
What is the InChIKey of 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine?
The InChIKey is FFNSNUBYKYSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c12-11(6-2-1-3-7-11)10-13-8-4-5-9-13/h1-10,12H2.
What are the key properties of 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine?
1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 3159681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).