3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine

C10H14N2 — CID 91562471

IUPAC3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine
SMILES[H]/N=c1\ccccc(N)c1C(C)C
InChIInChI=1S/C10H14N2/c1-7(2)10-8(11)5-3-4-6-9(10)12/h3-7,11H,12H2,1-2H3/b11-8+
InChIKeyDFGUYDXXFKHKJO-DHZHZOJOSA-N
MW162.24 g/mol
LogP1.87
Rot. Bonds1

About 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine

3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine (PubChem CID 91562471) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine
PubChem CID91562471
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine
SMILES[H]/N=c1\ccccc(N)c1C(C)C
InChIInChI=1S/C10H14N2/c1-7(2)10-8(11)5-3-4-6-9(10)12/h3-7,11H,12H2,1-2H3/b11-8+
InChIKeyDFGUYDXXFKHKJO-DHZHZOJOSA-N
XLogP1.87
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine
CID 167064967
2,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 66847916
3,9a-Dihydrobenzo[7]annulen-5-imine
CID 123764551
6-Methylcyclohepta-2,4-dien-1-imine
CID 123782206
4-Propan-2-ylcyclohepta-2,4-dien-1-imine
CID 123981084
(3E)-3-propan-2-ylhexa-3,5-dien-2-imine
CID 132096069
(2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine
CID 134289245
(3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine
CID 134581642
1-(5-Methylcyclohepta-1,6-dien-1-yl)ethanimine
CID 143614214
2-Propan-2-ylcyclohepta-1,4,6-trien-1-amine
CID 143743840
(3E,5Z)-5-ethanimidoyl-3,6,9-trimethyldeca-1,3,5-trien-4-amine
CID 144055290
(2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine
CID 145193386

Frequently Asked Questions

What is the IUPAC name of 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine (CID 91562471) is 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine is [H]/N=c1\ccccc(N)c1C(C)C.
What is the InChIKey of 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is DFGUYDXXFKHKJO-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H14N2/c1-7(2)10-8(11)5-3-4-6-9(10)12/h3-7,11H,12H2,1-2H3/b11-8+.
What are the key properties of 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 162.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 91562471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).