N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine

C13H29N — CID 107897106

IUPACN-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine
SMILESCCCC(C)C(CNCC)CC(C)C
InChIInChI=1S/C13H29N/c1-6-8-12(5)13(9-11(3)4)10-14-7-2/h11-14H,6-10H2,1-5H3
InChIKeyIJITWZINHMFSFK-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds8

About N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine

N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine (PubChem CID 107897106) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine
PubChem CID107897106
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine
SMILESCCCC(C)C(CNCC)CC(C)C
InChIInChI=1S/C13H29N/c1-6-8-12(5)13(9-11(3)4)10-14-7-2/h11-14H,6-10H2,1-5H3
InChIKeyIJITWZINHMFSFK-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-4-propyloctane
CID 57491236
3-methyl-N,2-dipropylhexan-1-amine
CID 107897121
N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine
CID 59084993
1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine
CID 142292520
2-methyl-4-propan-2-ylheptane
CID 21201044
N-ethyl-2-(2-methylpropyl)decan-1-amine
CID 55194495
2,5,11-trimethyl-4-propyldodecane
CID 123176237
N-ethyl-2-propan-2-ylheptan-1-amine
CID 62529144
N-ethyl-2-propan-2-yldodecan-1-amine
CID 63521323
2,5,8-trimethyl-4-(2-methylpropyl)nonane
CID 18961431
2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 107889329
N-ethyl-2-iodopentan-1-amine
CID 163909587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine (CID 107897106) is N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine is CCCC(C)C(CNCC)CC(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine?
The InChIKey is IJITWZINHMFSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-8-12(5)13(9-11(3)4)10-14-7-2/h11-14H,6-10H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine?
N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 107897106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).