4-ethyl-2-methyl-N-propan-2-yloctan-1-amine

C14H31N — CID 63496025

IUPAC4-ethyl-2-methyl-N-propan-2-yloctan-1-amine
SMILESCCCCC(CC)CC(C)CNC(C)C
InChIInChI=1S/C14H31N/c1-6-8-9-14(7-2)10-13(5)11-15-12(3)4/h12-15H,6-11H2,1-5H3
InChIKeyNQWXAMUCULJXBB-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.23
Rot. Bonds9

About 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine

4-ethyl-2-methyl-N-propan-2-yloctan-1-amine (PubChem CID 63496025) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-propan-2-yloctan-1-amine
PubChem CID63496025
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name4-ethyl-2-methyl-N-propan-2-yloctan-1-amine
SMILESCCCCC(CC)CC(C)CNC(C)C
InChIInChI=1S/C14H31N/c1-6-8-9-14(7-2)10-13(5)11-15-12(3)4/h12-15H,6-11H2,1-5H3
InChIKeyNQWXAMUCULJXBB-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-2-methyl-N-propan-2-ylnonan-1-amine
CID 64666042
6-ethyl-4-methyldecane
CID 22224210
5,11-diethyl-7-methylpentadecane
CID 174871265
8-ethyl-4,6-dimethyldodecane
CID 123186055
5-ethyl-7-methylhexadecane
CID 173452938
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720
5,9-dibutyl-7-methyltridecane
CID 20810653
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
11-ethyl-9-methylhenicosane
CID 154589575
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine?
The IUPAC name of 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine (CID 63496025) is 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine.
What is the SMILES notation for 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine?
The canonical SMILES for 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine is CCCCC(CC)CC(C)CNC(C)C.
What is the InChIKey of 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine?
The InChIKey is NQWXAMUCULJXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-6-8-9-14(7-2)10-13(5)11-15-12(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine?
4-ethyl-2-methyl-N-propan-2-yloctan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-propan-2-yloctan-1-amine is sourced from PubChem (CID 63496025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).