7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine

C15H33NO — CID 103031465

IUPAC7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)(C)OC)CC(C)(C)C
InChIInChI=1S/C15H33NO/c1-8-11-16-13(12-14(2,3)4)9-10-15(5,6)17-7/h13,16H,8-12H2,1-7H3
InChIKeySFUQDFRKCIUHLD-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds8

About 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine

7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine (PubChem CID 103031465) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
PubChem CID103031465
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)(C)OC)CC(C)(C)C
InChIInChI=1S/C15H33NO/c1-8-11-16-13(12-14(2,3)4)9-10-15(5,6)17-7/h13,16H,8-12H2,1-7H3
InChIKeySFUQDFRKCIUHLD-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-2-methyltridecan-4-amine
CID 103025039
2-methoxy-2-methyl-N-propyltridecan-4-amine
CID 103025040
2-methoxy-N,2-dimethylundecan-4-amine
CID 103025042
N-ethyl-2-methoxy-2-methyldecan-4-amine
CID 103025050
2-methoxy-N,2,7-trimethyloctan-4-amine
CID 103025053
2-methoxy-2,7-dimethyl-N-propyloctan-4-amine
CID 103025055
2-methoxy-N,2-dimethyldodecan-4-amine
CID 103025057
N-ethyl-2-methoxy-2-methyldodecan-4-amine
CID 103025058
2-methoxy-2-methyl-N-propyldodecan-4-amine
CID 103025059
2-methoxy-N,2-dimethylnonan-4-amine
CID 103025061
N-ethyl-2-methoxy-2-methylnonan-4-amine
CID 103025062
2-methoxy-2-methyl-N-propylnonan-4-amine
CID 103025063

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine?
The IUPAC name of 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine (CID 103031465) is 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine.
What is the SMILES notation for 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine?
The canonical SMILES for 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine is CCCNC(CCC(C)(C)OC)CC(C)(C)C.
What is the InChIKey of 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine?
The InChIKey is SFUQDFRKCIUHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-11-16-13(12-14(2,3)4)9-10-15(5,6)17-7/h13,16H,8-12H2,1-7H3.
What are the key properties of 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine?
7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine is sourced from PubChem (CID 103031465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).