2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine

C13H29N — CID 62725827

IUPAC2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CC)(CNC)CC(C)C
InChIInChI=1S/C13H29N/c1-6-8-9-13(7-2,11-14-5)10-12(3)4/h12,14H,6-11H2,1-5H3
InChIKeyNYIMFMXXONVLTP-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine

2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine (PubChem CID 62725827) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
PubChem CID62725827
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CC)(CNC)CC(C)C
InChIInChI=1S/C13H29N/c1-6-8-9-13(7-2,11-14-5)10-12(3)4/h12,14H,6-11H2,1-5H3
InChIKeyNYIMFMXXONVLTP-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
2-ethyl-N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 112591499
4,4-bis(chloromethyl)-2-methyloctane
CID 79448135
2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930649
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine
CID 62723627
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
6,6-dibutyl-2-methyldecane
CID 150480915
2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine
CID 55194903
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine (CID 62725827) is 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine is CCCCC(CC)(CNC)CC(C)C.
What is the InChIKey of 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine?
The InChIKey is NYIMFMXXONVLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-8-9-13(7-2,11-14-5)10-12(3)4/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine?
2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 62725827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).