cyclohepta-1,3,5-triene-1,4-diamine

C7H10N2 — CID 145013911

IUPACcyclohepta-1,3,5-triene-1,4-diamine
SMILESNC1=CC=C(N)CC=C1
InChIInChI=1S/C7H10N2/c8-6-2-1-3-7(9)5-4-6/h1-2,4-5H,3,8-9H2
InChIKeyGGURNWAURSNFBU-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.63
Rot. Bonds

About cyclohepta-1,3,5-triene-1,4-diamine

cyclohepta-1,3,5-triene-1,4-diamine (PubChem CID 145013911) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is cyclohepta-1,3,5-triene-1,4-diamine.

Molecular Properties

Compound Namecyclohepta-1,3,5-triene-1,4-diamine
PubChem CID145013911
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Namecyclohepta-1,3,5-triene-1,4-diamine
SMILESNC1=CC=C(N)CC=C1
InChIInChI=1S/C7H10N2/c8-6-2-1-3-7(9)5-4-6/h1-2,4-5H,3,8-9H2
InChIKeyGGURNWAURSNFBU-UHFFFAOYSA-N
XLogP0.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylcyclohepta-1,3,5-trien-1-amine;molecular hydrogen
CID 143190843
4-propan-2-ylcyclohepta-1,3,5-trien-1-amine
CID 143215023
4-aminocyclohepta-1,3,6-triene-1-carbonitrile
CID 143822406
acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine
CID 143275435
cyclohepta-1,3,6-trien-1-amine
CID 141371533
4-N-pyridin-4-ylcyclohepta-1,3,5-triene-1,4-diamine
CID 142181687
2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid
CID 170069281
cycloocta-1,3,5,7-tetraene-1,5-diamine
CID 158390610
4-[(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazol-2-yl]cyclohepta-1,3,6-trien-1-amine
CID 143027019
(4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine
CID 143649858
5-amino-3,6-dihydro-1H-cyclohepta[d]imidazol-2-one
CID 142973556
(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine
CID 146278154

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-triene-1,4-diamine?
The IUPAC name of cyclohepta-1,3,5-triene-1,4-diamine (CID 145013911) is cyclohepta-1,3,5-triene-1,4-diamine.
What is the SMILES notation for cyclohepta-1,3,5-triene-1,4-diamine?
The canonical SMILES for cyclohepta-1,3,5-triene-1,4-diamine is NC1=CC=C(N)CC=C1.
What is the InChIKey of cyclohepta-1,3,5-triene-1,4-diamine?
The InChIKey is GGURNWAURSNFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-6-2-1-3-7(9)5-4-6/h1-2,4-5H,3,8-9H2.
What are the key properties of cyclohepta-1,3,5-triene-1,4-diamine?
cyclohepta-1,3,5-triene-1,4-diamine has a molecular weight of 122.17 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,5-triene-1,4-diamine is sourced from PubChem (CID 145013911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).