1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine

C13H18N2 — CID 24848468

IUPAC1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine
SMILESNC1(CC2(N)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C13H18N2/c14-12(7-3-1-4-8-12)11-13(15)9-5-2-6-10-13/h1-7,9H,8,10-11,14-15H2
InChIKeyPAAGKQBDVQRQSQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.80
Rot. Bonds2

About 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine

1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine (PubChem CID 24848468) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine
PubChem CID24848468
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine
SMILESNC1(CC2(N)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C13H18N2/c14-12(7-3-1-4-8-12)11-13(15)9-5-2-6-10-13/h1-7,9H,8,10-11,14-15H2
InChIKeyPAAGKQBDVQRQSQ-UHFFFAOYSA-N
XLogP1.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine (CID 24848468) is 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine is NC1(CC2(N)C=CC=CC2)C=CC=CC1.
What is the InChIKey of 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is PAAGKQBDVQRQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-12(7-3-1-4-8-12)11-13(15)9-5-2-6-10-13/h1-7,9H,8,10-11,14-15H2.
What are the key properties of 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine?
1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 24848468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).