3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine

C15H21N — CID 88565220

IUPAC3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine
SMILESCC(C)=c1cccc/c1=C/C1C(C)CC1N
InChIInChI=1S/C15H21N/c1-10(2)13-7-5-4-6-12(13)9-14-11(3)8-15(14)16/h4-7,9,11,14-15H,8,16H2,1-3H3/b12-9-
InChIKeyKEACIOBRFSEHLA-XFXZXTDPSA-N
MW215.34 g/mol
LogP1.64
Rot. Bonds1

About 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine

3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine (PubChem CID 88565220) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine
PubChem CID88565220
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine
SMILESCC(C)=c1cccc/c1=C/C1C(C)CC1N
InChIInChI=1S/C15H21N/c1-10(2)13-7-5-4-6-12(13)9-14-11(3)8-15(14)16/h4-7,9,11,14-15H,8,16H2,1-3H3/b12-9-
InChIKeyKEACIOBRFSEHLA-XFXZXTDPSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine (CID 88565220) is 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine is CC(C)=c1cccc/c1=C/C1C(C)CC1N.
What is the InChIKey of 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine?
The InChIKey is KEACIOBRFSEHLA-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H21N/c1-10(2)13-7-5-4-6-12(13)9-14-11(3)8-15(14)16/h4-7,9,11,14-15H,8,16H2,1-3H3/b12-9-.
What are the key properties of 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine?
3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine is sourced from PubChem (CID 88565220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).