3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine

C12H22N2 — CID 106315052

IUPAC3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
SMILESCC1=CCCN(CC2CCC(N)C2)C1
InChIInChI=1S/C12H22N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h3,11-12H,2,4-9,13H2,1H3
InChIKeyWEEXURAAKGWBKI-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.77
Rot. Bonds2

About 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine

3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 106315052) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
PubChem CID106315052
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
SMILESCC1=CCCN(CC2CCC(N)C2)C1
InChIInChI=1S/C12H22N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h3,11-12H,2,4-9,13H2,1H3
InChIKeyWEEXURAAKGWBKI-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.77
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 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine (CID 106315052) is 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine is CC1=CCCN(CC2CCC(N)C2)C1.
What is the InChIKey of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is WEEXURAAKGWBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h3,11-12H,2,4-9,13H2,1H3.
What are the key properties of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine?
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 106315052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).