N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine

C12H22N2 — CID 11970593

IUPACN-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine
SMILESC1=C(CNCC2CCCN2)CCCC1
InChIInChI=1S/C12H22N2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h5,12-14H,1-4,6-10H2
InChIKeyWEYQWUQFUYGMOF-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.83
Rot. Bonds4

About N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine

N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine (PubChem CID 11970593) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine
PubChem CID11970593
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine
SMILESC1=C(CNCC2CCCN2)CCCC1
InChIInChI=1S/C12H22N2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h5,12-14H,1-4,6-10H2
InChIKeyWEYQWUQFUYGMOF-UHFFFAOYSA-N
XLogP1.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine (CID 11970593) is N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine is C1=C(CNCC2CCCN2)CCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine?
The InChIKey is WEYQWUQFUYGMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h5,12-14H,1-4,6-10H2.
What are the key properties of N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine?
N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine has a molecular weight of 194.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 11970593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).