[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine

C12H22N2 — CID 3018317

IUPAC[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1CC1=CCCCC1
InChIInChI=1S/C12H22N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h5,12H,1-4,6-10,13H2
InChIKeyPUVRPONDSAVLJE-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.91
Rot. Bonds3

About [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine

[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 3018317) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID3018317
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1CC1=CCCCC1
InChIInChI=1S/C12H22N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h5,12H,1-4,6-10,13H2
InChIKeyPUVRPONDSAVLJE-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
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 [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine (CID 3018317) is [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1CC1=CCCCC1.
What is the InChIKey of [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is PUVRPONDSAVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h5,12H,1-4,6-10,13H2.
What are the key properties of [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine?
[1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 194.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 3018317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).