1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine

C12H19N — CID 172575381

IUPAC1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine
SMILESC=C(C)C1=C(N)CCC2C(C)C12C
InChIInChI=1S/C12H19N/c1-7(2)11-10(13)6-5-9-8(3)12(9,11)4/h8-9H,1,5-6,13H2,2-4H3
InChIKeyILJFMOYLTXSOEF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.84
Rot. Bonds1

About 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine

1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine (PubChem CID 172575381) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine.

Molecular Properties

Compound Name1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine
PubChem CID172575381
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine
SMILESC=C(C)C1=C(N)CCC2C(C)C12C
InChIInChI=1S/C12H19N/c1-7(2)11-10(13)6-5-9-8(3)12(9,11)4/h8-9H,1,5-6,13H2,2-4H3
InChIKeyILJFMOYLTXSOEF-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 163504031
(1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
CID 102207117
1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone
CID 92846372
3,4-bis(prop-1-en-2-yl)spiro[4.4]non-3-ene
CID 144594052
2-methyl-6-prop-1-en-2-yl-1,2-dihydropyridin-3-amine
CID 126621299
1,5-dimethyl-5-prop-1-en-2-ylspiro[2.2]pent-1-en-2-amine
CID 166782106
1,2-dimethyl-4-methylidene-1-prop-1-en-2-ylcyclopentane
CID 20644989
(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
CID 163013816
6,6-dimethylbicyclo[3.1.0]hexan-2-one
CID 12740328
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
CID 91136006
1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene
CID 74819495

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine?
The IUPAC name of 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine (CID 172575381) is 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine.
What is the SMILES notation for 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine?
The canonical SMILES for 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine is C=C(C)C1=C(N)CCC2C(C)C12C.
What is the InChIKey of 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine?
The InChIKey is ILJFMOYLTXSOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-7(2)11-10(13)6-5-9-8(3)12(9,11)4/h8-9H,1,5-6,13H2,2-4H3.
What are the key properties of 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine?
1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine has a molecular weight of 177.29 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine is sourced from PubChem (CID 172575381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).