4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine

C17H29N — CID 166809545

IUPAC4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(CCC1(C)C=CC(NC(C)C)=CC1)C(C)C
InChIInChI=1S/C17H29N/c1-13(2)15(5)7-10-17(6)11-8-16(9-12-17)18-14(3)4/h8-9,11,13-14,18H,5,7,10,12H2,1-4,6H3
InChIKeyJEMWHZGYLYLCRL-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.83
Rot. Bonds6

About 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine

4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 166809545) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID166809545
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(CCC1(C)C=CC(NC(C)C)=CC1)C(C)C
InChIInChI=1S/C17H29N/c1-13(2)15(5)7-10-17(6)11-8-16(9-12-17)18-14(3)4/h8-9,11,13-14,18H,5,7,10,12H2,1-4,6H3
InChIKeyJEMWHZGYLYLCRL-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 166809545) is 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine is C=C(CCC1(C)C=CC(NC(C)C)=CC1)C(C)C.
What is the InChIKey of 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is JEMWHZGYLYLCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)15(5)7-10-17(6)11-8-16(9-12-17)18-14(3)4/h8-9,11,13-14,18H,5,7,10,12H2,1-4,6H3.
What are the key properties of 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-methyl-3-methylidenepentyl)-N-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 166809545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).