3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine

C18H25N — CID 69135872

IUPAC3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine
SMILESCCCCC1(C)C=C(N)C(C)=CC1c1ccccc1
InChIInChI=1S/C18H25N/c1-4-5-11-18(3)13-17(19)14(2)12-16(18)15-9-7-6-8-10-15/h6-10,12-13,16H,4-5,11,19H2,1-3H3
InChIKeyXJOTVEXFHQBLLC-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.77
Rot. Bonds4

About 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine

3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine (PubChem CID 69135872) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine
PubChem CID69135872
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine
SMILESCCCCC1(C)C=C(N)C(C)=CC1c1ccccc1
InChIInChI=1S/C18H25N/c1-4-5-11-18(3)13-17(19)14(2)12-16(18)15-9-7-6-8-10-15/h6-10,12-13,16H,4-5,11,19H2,1-3H3
InChIKeyXJOTVEXFHQBLLC-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine (CID 69135872) is 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine is CCCCC1(C)C=C(N)C(C)=CC1c1ccccc1.
What is the InChIKey of 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine?
The InChIKey is XJOTVEXFHQBLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-5-11-18(3)13-17(19)14(2)12-16(18)15-9-7-6-8-10-15/h6-10,12-13,16H,4-5,11,19H2,1-3H3.
What are the key properties of 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine?
3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3,6-dimethyl-4-phenylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 69135872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).