ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine

C12H19N — CID 172570621

IUPACethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESC=C(C)C1=CC=CC=C(N)C1.CC
InChIInChI=1S/C10H13N.C2H6/c1-8(2)9-5-3-4-6-10(11)7-9;1-2/h3-6H,1,7,11H2,2H3;1-2H3
InChIKeyFATDYYXUZHIUJX-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.32
Rot. Bonds1

About ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine

ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine (PubChem CID 172570621) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Nameethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
PubChem CID172570621
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESC=C(C)C1=CC=CC=C(N)C1.CC
InChIInChI=1S/C10H13N.C2H6/c1-8(2)9-5-3-4-6-10(11)7-9;1-2/h3-6H,1,7,11H2,2H3;1-2H3
InChIKeyFATDYYXUZHIUJX-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
CID 143480455
1-(6-acetylcyclohepta-1,3,5-trien-1-yl)ethanone
CID 11378812
5-ethenylidenecyclohexa-1,3-dien-1-amine
CID 176522524
1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
CID 143168816
4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine
CID 170019410
1-(5-aminocyclohexa-2,4-dien-1-yl)ethanone
CID 70328282
methyl 2-(5-aminocyclohexa-2,4-dien-1-ylidene)acetate
CID 66758734
aniline;ethane;2-methylprop-1-ene
CID 123218647
cyclohepta-1,3,5-trien-1-ol;ethane
CID 142842150
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
1-[(3E)-hepta-1,3-dien-4-yl]cyclohepta-1,3,5-triene
CID 143348775
1,2,3,4-tetrakis(prop-1-en-2-yl)benzene
CID 19429816

Frequently Asked Questions

What is the IUPAC name of ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine (CID 172570621) is ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine is C=C(C)C1=CC=CC=C(N)C1.CC.
What is the InChIKey of ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is FATDYYXUZHIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-8(2)9-5-3-4-6-10(11)7-9;1-2/h3-6H,1,7,11H2,2H3;1-2H3.
What are the key properties of ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine?
ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 172570621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).