N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine

C13H29NO — CID 103019881

IUPACN-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
SMILESCCNCCC(C)(C)CCC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-7-14-11-10-12(2,3)8-9-13(4,5)15-6/h14H,7-11H2,1-6H3
InChIKeyYKXMFEDTBGIWIB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds8

About N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine

N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine (PubChem CID 103019881) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
PubChem CID103019881
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
SMILESCCNCCC(C)(C)CCC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-7-14-11-10-12(2,3)8-9-13(4,5)15-6/h14H,7-11H2,1-6H3
InChIKeyYKXMFEDTBGIWIB-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-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

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 65304274
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine
CID 81023264
N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103037242
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-ethyl-2-methoxy-2-methylpropan-1-amine;molecular hydrogen
CID 165411003
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
N-ethyl-3,3,4,4-tetramethylpentan-1-amine
CID 81022340
N,3-diethyl-3-methylhexan-1-amine
CID 163633802
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine?
The IUPAC name of N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine (CID 103019881) is N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine.
What is the SMILES notation for N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine?
The canonical SMILES for N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine is CCNCCC(C)(C)CCC(C)(C)OC.
What is the InChIKey of N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine?
The InChIKey is YKXMFEDTBGIWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-14-11-10-12(2,3)8-9-13(4,5)15-6/h14H,7-11H2,1-6H3.
What are the key properties of N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine?
N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine is sourced from PubChem (CID 103019881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).