6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine

C16H35N — CID 174299611

IUPAC6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine
SMILESCCC(CCC(C)CCN(C)C(C)C)C(C)C
InChIInChI=1S/C16H35N/c1-8-16(13(2)3)10-9-15(6)11-12-17(7)14(4)5/h13-16H,8-12H2,1-7H3
InChIKeyGDCSDCITWFORCX-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.82
Rot. Bonds9

About 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine

6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine (PubChem CID 174299611) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine.

Molecular Properties

Compound Name6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine
PubChem CID174299611
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine
SMILESCCC(CCC(C)CCN(C)C(C)C)C(C)C
InChIInChI=1S/C16H35N/c1-8-16(13(2)3)10-9-15(6)11-12-17(7)14(4)5/h13-16H,8-12H2,1-7H3
InChIKeyGDCSDCITWFORCX-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
3-ethyl-2,6,9-trimethyldecane
CID 91256736
(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 158122452
8-ethyl-2,3,5,9-tetramethyldecane
CID 123544515
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
ethane;4-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]pentanal
CID 177353129
(3R)-3-ethyl-2-methylhexane
CID 59954424
3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
CID 61425759
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114
2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane
CID 123987895

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine?
The IUPAC name of 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine (CID 174299611) is 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine.
What is the SMILES notation for 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine?
The canonical SMILES for 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine is CCC(CCC(C)CCN(C)C(C)C)C(C)C.
What is the InChIKey of 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine?
The InChIKey is GDCSDCITWFORCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-8-16(13(2)3)10-9-15(6)11-12-17(7)14(4)5/h13-16H,8-12H2,1-7H3.
What are the key properties of 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine?
6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine is sourced from PubChem (CID 174299611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).