3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine

C12H20N2 — CID 123761097

IUPAC3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
SMILESCC1CCCN(CC2=CCC(N)=C2)C1
InChIInChI=1S/C12H20N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h4,7,10H,2-3,5-6,8-9,13H2,1H3
InChIKeyPKDCUKSPNNRKRU-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.89
Rot. Bonds2

About 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine

3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine (PubChem CID 123761097) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
PubChem CID123761097
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
SMILESCC1CCCN(CC2=CCC(N)=C2)C1
InChIInChI=1S/C12H20N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h4,7,10H,2-3,5-6,8-9,13H2,1H3
InChIKeyPKDCUKSPNNRKRU-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine (CID 123761097) is 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The canonical SMILES for 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine is CC1CCCN(CC2=CCC(N)=C2)C1.
What is the InChIKey of 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The InChIKey is PKDCUKSPNNRKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h4,7,10H,2-3,5-6,8-9,13H2,1H3.
What are the key properties of 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 123761097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).