3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine

C17H35N — CID 129142206

IUPAC3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine
SMILESC=C(NC(CC)C(C)C)C(CC)C(C)CCCC
InChIInChI=1S/C17H35N/c1-8-11-12-14(6)16(9-2)15(7)18-17(10-3)13(4)5/h13-14,16-18H,7-12H2,1-6H3
InChIKeyVPZKEWZOVJXCPE-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.38
Rot. Bonds10

About 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine

3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine (PubChem CID 129142206) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine.

Molecular Properties

Compound Name3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine
PubChem CID129142206
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine
SMILESC=C(NC(CC)C(C)C)C(CC)C(C)CCCC
InChIInChI=1S/C17H35N/c1-8-11-12-14(6)16(9-2)15(7)18-17(10-3)13(4)5/h13-14,16-18H,7-12H2,1-6H3
InChIKeyVPZKEWZOVJXCPE-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-prop-1-en-2-ylheptan-2-amine
CID 174298907
2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
CID 142109813
alumane;2,3-dimethylheptane
CID 174508099
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
3,5,6-trimethyldecane
CID 57490917
3,4-dimethyloctane;ethane;ethene;propane
CID 142827223
2-chloro-4-methyloct-1-en-3-ol
CID 54546510
3,6-dimethyl-5-propan-2-yldecane
CID 123254389
2-methyl-N-propan-2-ylhexanamide
CID 19752015
4,5-dimethyl-3-(propanoylamino)nonanoic acid
CID 11379869

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine?
The IUPAC name of 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine (CID 129142206) is 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine.
What is the SMILES notation for 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine?
The canonical SMILES for 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine is C=C(NC(CC)C(C)C)C(CC)C(C)CCCC.
What is the InChIKey of 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine?
The InChIKey is VPZKEWZOVJXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-8-11-12-14(6)16(9-2)15(7)18-17(10-3)13(4)5/h13-14,16-18H,7-12H2,1-6H3.
What are the key properties of 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine?
3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-N-(2-methylpentan-3-yl)oct-1-en-2-amine is sourced from PubChem (CID 129142206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).