4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine

C14H25N — CID 155242464

IUPAC4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCNC1C=CC(C(C)(C)C)=CC1C
InChIInChI=1S/C14H25N/c1-6-9-15-13-8-7-12(10-11(13)2)14(3,4)5/h7-8,10-11,13,15H,6,9H2,1-5H3
InChIKeyFUKOEDDCFMAQSA-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.53
Rot. Bonds3

About 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine

4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine (PubChem CID 155242464) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
PubChem CID155242464
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCNC1C=CC(C(C)(C)C)=CC1C
InChIInChI=1S/C14H25N/c1-6-9-15-13-8-7-12(10-11(13)2)14(3,4)5/h7-8,10-11,13,15H,6,9H2,1-5H3
InChIKeyFUKOEDDCFMAQSA-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine (CID 155242464) is 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine is CCCNC1C=CC(C(C)(C)C)=CC1C.
What is the InChIKey of 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is FUKOEDDCFMAQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-6-9-15-13-8-7-12(10-11(13)2)14(3,4)5/h7-8,10-11,13,15H,6,9H2,1-5H3.
What are the key properties of 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine?
4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methyl-N-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 155242464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).