N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine

C15H33NO — CID 43147181

IUPACN-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)CCCC(C)C
InChIInChI=1S/C15H33NO/c1-12(2)9-8-10-13(3)16-14(4)11-15(5,6)17-7/h12-14,16H,8-11H2,1-7H3
InChIKeyDTGUJLXGVSZRPT-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.99
Rot. Bonds9

About N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine

N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine (PubChem CID 43147181) has the molecular formula C15H33NO and a molecular weight of 243.44 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine
PubChem CID43147181
Molecular FormulaC15H33NO
Molecular Weight243.44 g/mol
Exact Mass243.26
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)CCCC(C)C
InChIInChI=1S/C15H33NO/c1-12(2)9-8-10-13(3)16-14(4)11-15(5,6)17-7/h12-14,16H,8-11H2,1-7H3
InChIKeyDTGUJLXGVSZRPT-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine (CID 43147181) is N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine is COC(C)(C)CC(C)NC(C)CCCC(C)C.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine?
The InChIKey is DTGUJLXGVSZRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-12(2)9-8-10-13(3)16-14(4)11-15(5,6)17-7/h12-14,16H,8-11H2,1-7H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine?
N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine has a molecular weight of 243.44 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine is sourced from PubChem (CID 43147181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).