6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine

C14H31NO — CID 103019805

IUPAC6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
SMILESCOC(C)(C)CCCC(C)CNCC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)10-15-11-13(3)8-7-9-14(4,5)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyRWVHQSFSAPIZEI-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds9

About 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine

6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine (PubChem CID 103019805) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound Name6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
PubChem CID103019805
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
SMILESCOC(C)(C)CCCC(C)CNCC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)10-15-11-13(3)8-7-9-14(4,5)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyRWVHQSFSAPIZEI-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
7-methoxy-3,7-dimethyloctan-1-amine
CID 102547373
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 103033354
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627253
2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
CID 114210654
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036952

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine?
The IUPAC name of 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine (CID 103019805) is 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine is COC(C)(C)CCCC(C)CNCC(C)C.
What is the InChIKey of 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine?
The InChIKey is RWVHQSFSAPIZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)10-15-11-13(3)8-7-9-14(4,5)16-6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine?
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 103019805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).