1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine

C14H28N2 — CID 17214017

IUPAC1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine
SMILESCCN1CCCC1CNCC1CCCCC1
InChIInChI=1S/C14H28N2/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13/h13-15H,2-12H2,1H3
InChIKeyFKQNVDLKCQFMQV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine

1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine (PubChem CID 17214017) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine
PubChem CID17214017
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine
SMILESCCN1CCCC1CNCC1CCCCC1
InChIInChI=1S/C14H28N2/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13/h13-15H,2-12H2,1H3
InChIKeyFKQNVDLKCQFMQV-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine (CID 17214017) is 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine is CCN1CCCC1CNCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine?
The InChIKey is FKQNVDLKCQFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13/h13-15H,2-12H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine?
1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1-ethylpyrrolidin-2-yl)methyl]methanamine is sourced from PubChem (CID 17214017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).