1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine

C11H20N2 — CID 126972073

IUPAC1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine
SMILESNC1CCN(CC2=CCCCC2)C1
InChIInChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,12H2
InChIKeyFERVNEBGVHTRLC-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.52
Rot. Bonds2

About 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine

1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine (PubChem CID 126972073) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine
PubChem CID126972073
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine
SMILESNC1CCN(CC2=CCCCC2)C1
InChIInChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,12H2
InChIKeyFERVNEBGVHTRLC-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
CID 44376874
1-(1-Cyclohexen-1-ylmethyl)pyrrolidine-2-methylamine
CID 3018317
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
1-(2-Cyclohexylideneethyl)pyrrolidine-2-methylamine
CID 3024075
N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine
CID 11970593
2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 11971345
2-(Cyclohexen-1-yl)pyrrolidine
CID 12799529
2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-2-ylmethanamine
CID 18982940
N,N-dimethyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine
CID 19069785
4-Methyl-1,2,3,5,7,8,9,9a-octahydro-1,4-benzodiazepine
CID 19908224
1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
CID 20580866
(S)-1-(Pyrrolidin-2-ylmethyl)-1,2,3,6-tetrahydropyridine
CID 45088886

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine (CID 126972073) is 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine is NC1CCN(CC2=CCCCC2)C1.
What is the InChIKey of 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine?
The InChIKey is FERVNEBGVHTRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,12H2.
What are the key properties of 1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine?
1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine has a molecular weight of 180.29 g/mol, XLogP of 1.52, 2 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-3-amine is sourced from PubChem (CID 126972073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).