N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine

C19H35NO — CID 71034863

IUPACN-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOC1=C(C(C)(C)C)C=CC(C)C1(C)CNCC(C)(C)C
InChIInChI=1S/C19H35NO/c1-14-10-11-15(18(5,6)7)16(21-9)19(14,8)13-20-12-17(2,3)4/h10-11,14,20H,12-13H2,1-9H3
InChIKeyUIHVFLPVVXRXRH-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.78
Rot. Bonds4

About N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine

N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 71034863) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID71034863
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOC1=C(C(C)(C)C)C=CC(C)C1(C)CNCC(C)(C)C
InChIInChI=1S/C19H35NO/c1-14-10-11-15(18(5,6)7)16(21-9)19(14,8)13-20-12-17(2,3)4/h10-11,14,20H,12-13H2,1-9H3
InChIKeyUIHVFLPVVXRXRH-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine (CID 71034863) is N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine is COC1=C(C(C)(C)C)C=CC(C)C1(C)CNCC(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is UIHVFLPVVXRXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-14-10-11-15(18(5,6)7)16(21-9)19(14,8)13-20-12-17(2,3)4/h10-11,14,20H,12-13H2,1-9H3.
What are the key properties of N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine?
N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 71034863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).