N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine

C14H24N2 — CID 71154187

IUPACN-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
SMILESCC1=C(CCNC2CCNCC2)C=CCC1
InChIInChI=1S/C14H24N2/c1-12-4-2-3-5-13(12)6-11-16-14-7-9-15-10-8-14/h3,5,14-16H,2,4,6-11H2,1H3
InChIKeyYCAOVMWYMBFPQL-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine

N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine (PubChem CID 71154187) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
PubChem CID71154187
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
SMILESCC1=C(CCNC2CCNCC2)C=CCC1
InChIInChI=1S/C14H24N2/c1-12-4-2-3-5-13(12)6-11-16-14-7-9-15-10-8-14/h3,5,14-16H,2,4,6-11H2,1H3
InChIKeyYCAOVMWYMBFPQL-UHFFFAOYSA-N
XLogP2.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine (CID 71154187) is N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine is CC1=C(CCNC2CCNCC2)C=CCC1.
What is the InChIKey of N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine?
The InChIKey is YCAOVMWYMBFPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-4-2-3-5-13(12)6-11-16-14-7-9-15-10-8-14/h3,5,14-16H,2,4,6-11H2,1H3.
What are the key properties of N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine?
N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine has a molecular weight of 220.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 71154187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).