2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine

C13H21N — CID 174271983

IUPAC2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CCC(N)C(C2(C)CC2)=C1
InChIInChI=1S/C13H21N/c1-9(2)10-4-5-12(14)11(8-10)13(3)6-7-13/h4,8-9,12H,5-7,14H2,1-3H3
InChIKeyRDBOZEYJDIJLKC-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.03
Rot. Bonds2

About 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine

2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 174271983) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID174271983
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CCC(N)C(C2(C)CC2)=C1
InChIInChI=1S/C13H21N/c1-9(2)10-4-5-12(14)11(8-10)13(3)6-7-13/h4,8-9,12H,5-7,14H2,1-3H3
InChIKeyRDBOZEYJDIJLKC-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
CID 20837747
(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthren-1-yl)methanamine
CID 4266264
7-amino-5-propan-2-ylcyclohepta-1,3,5-trien-1-ol
CID 51050524
bis(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthren-1-yl)methanone
CID 122390296
1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene
CID 140641601
4-fluoro-2-methylcyclohexa-2,4-dien-1-amine
CID 147363508
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
CID 7076993
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
3-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 146359524
4,6-di(propan-2-yl)-1,2-dihydropyridine
CID 167420607
4-propan-2-ylcyclohexa-2,4-dien-1-ol
CID 139242852
4-propan-2-ylbenzene-1,2,3-triamine
CID 163998803

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 174271983) is 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)C1=CCC(N)C(C2(C)CC2)=C1.
What is the InChIKey of 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is RDBOZEYJDIJLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)10-4-5-12(14)11(8-10)13(3)6-7-13/h4,8-9,12H,5-7,14H2,1-3H3.
What are the key properties of 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174271983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).