[2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine

C8H14N2 — CID 22286812

IUPAC[2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=C(CN)CCC=C1
InChIInChI=1S/C8H14N2/c9-5-7-3-1-2-4-8(7)6-10/h1,3H,2,4-6,9-10H2
InChIKeyGVEGQGGAIIKKGV-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.55
Rot. Bonds2

About [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine

[2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 22286812) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID22286812
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name[2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=C(CN)CCC=C1
InChIInChI=1S/C8H14N2/c9-5-7-3-1-2-4-8(7)6-10/h1,3H,2,4-6,9-10H2
InChIKeyGVEGQGGAIIKKGV-UHFFFAOYSA-N
XLogP0.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine (CID 22286812) is [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine is NCC1=C(CN)CCC=C1.
What is the InChIKey of [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is GVEGQGGAIIKKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-5-7-3-1-2-4-8(7)6-10/h1,3H,2,4-6,9-10H2.
What are the key properties of [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine?
[2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 138.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 22286812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).