cyclohepta-1,3,5-triene-1,2-diamine

C7H10N2 — CID 163640522

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

About cyclohepta-1,3,5-triene-1,2-diamine

cyclohepta-1,3,5-triene-1,2-diamine (PubChem CID 163640522) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is cyclohepta-1,3,5-triene-1,2-diamine.

Molecular Properties

Compound Namecyclohepta-1,3,5-triene-1,2-diamine
PubChem CID163640522
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Namecyclohepta-1,3,5-triene-1,2-diamine
SMILESNC1=C(N)CC=CC=C1
InChIInChI=1S/C7H10N2/c8-6-4-2-1-3-5-7(6)9/h1-4H,5,8-9H2
InChIKeyIDVWTZYQPZCMKG-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

2-methylcycloocta-1,3,5-trien-1-amine
CID 67050786
(5E)-5-(aminohydrazinylidene)cyclohexa-1,3-diene;ethane
CID 143395928
cyclohexa-2,4-dien-1-ylidene-hydroxy-methylazanium
CID 90891817
hydrazine;5-sulfonylcyclohexa-1,3-diene
CID 172693673
2-ethylcycloocta-1,3,5-trien-1-amine
CID 67050807
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
CID 123633481
cyclohexa-2,4-dien-1-one;octahydrate
CID 175148606
2H-azepin-7-amine
CID 18800627
2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane
CID 10936596
N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine
CID 143513033
2-hydroxycyclohepta-1,4,6-triene-1-carboxamide
CID 163469165

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-triene-1,2-diamine?
The IUPAC name of cyclohepta-1,3,5-triene-1,2-diamine (CID 163640522) is cyclohepta-1,3,5-triene-1,2-diamine.
What is the SMILES notation for cyclohepta-1,3,5-triene-1,2-diamine?
The canonical SMILES for cyclohepta-1,3,5-triene-1,2-diamine is NC1=C(N)CC=CC=C1.
What is the InChIKey of cyclohepta-1,3,5-triene-1,2-diamine?
The InChIKey is IDVWTZYQPZCMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7(6)9/h1-4H,5,8-9H2.
What are the key properties of cyclohepta-1,3,5-triene-1,2-diamine?
cyclohepta-1,3,5-triene-1,2-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-1,2-diamine is sourced from PubChem (CID 163640522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).