N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine

C16H29NO2 — CID 130402805

IUPACN-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCOC1=CC(OC)C(C)C(CNCC(C)C(C)C)=C1
InChIInChI=1S/C16H29NO2/c1-11(2)12(3)9-17-10-14-7-15(18-5)8-16(19-6)13(14)4/h7-8,11-13,16-17H,9-10H2,1-6H3
InChIKeyHYENRTAUJGBQHH-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.99
Rot. Bonds7

About N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine

N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 130402805) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID130402805
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCOC1=CC(OC)C(C)C(CNCC(C)C(C)C)=C1
InChIInChI=1S/C16H29NO2/c1-11(2)12(3)9-17-10-14-7-15(18-5)8-16(19-6)13(14)4/h7-8,11-13,16-17H,9-10H2,1-6H3
InChIKeyHYENRTAUJGBQHH-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine with MolForge

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569070
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569253
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine
CID 64570932
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
CID 107740831
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789774
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine (CID 130402805) is N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine is COC1=CC(OC)C(C)C(CNCC(C)C(C)C)=C1.
What is the InChIKey of N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is HYENRTAUJGBQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)12(3)9-17-10-14-7-15(18-5)8-16(19-6)13(14)4/h7-8,11-13,16-17H,9-10H2,1-6H3.
What are the key properties of N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine?
N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 130402805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).