2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline

C13H21N — CID 58170801

IUPAC2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESC=C1C=CC2CCCCC2N1C(C)C
InChIInChI=1S/C13H21N/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14/h8-10,12-13H,3-7H2,1-2H3
InChIKeyPDAKEGRSZUACHN-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.34
Rot. Bonds1

About 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline

2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline (PubChem CID 58170801) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
PubChem CID58170801
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESC=C1C=CC2CCCCC2N1C(C)C
InChIInChI=1S/C13H21N/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14/h8-10,12-13H,3-7H2,1-2H3
InChIKeyPDAKEGRSZUACHN-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-allyltetrahydroquinoline
CID 69120580
N-Methyl-tetrahydrochinolin
CID 69139421
N-butyltetrahydroquinoline
CID 70628816
Dimethyl hexahydroquinoline
CID 129883835
(6S)-6-fluoro-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
CID 137417390
N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 143189849
4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine
CID 162593245
N,N-dimethyl-1,4,4a,8a-tetrahydronaphthalen-2-amine
CID 20094710
1,2-dimethyl-4a,8a-dihydro-4H-quinoline
CID 20647145
2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
CID 58170797
1-ethyl-2-[(1E,3E)-hexa-1,3,5-trienyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58693286
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine
CID 59524060

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The IUPAC name of 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline (CID 58170801) is 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline is C=C1C=CC2CCCCC2N1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The InChIKey is PDAKEGRSZUACHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline?
2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline has a molecular weight of 191.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 58170801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).