2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine

C16H35N — CID 55220449

IUPAC2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CC)(CNCC(C)C)CC(C)C
InChIInChI=1S/C16H35N/c1-7-9-10-16(8-2,11-14(3)4)13-17-12-15(5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyBJHKVQLTTJIPKH-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.86
Rot. Bonds10

About 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine

2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine (PubChem CID 55220449) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
PubChem CID55220449
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CC)(CNCC(C)C)CC(C)C
InChIInChI=1S/C16H35N/c1-7-9-10-16(8-2,11-14(3)4)13-17-12-15(5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyBJHKVQLTTJIPKH-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930649
2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62725827
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789
2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617741
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2,2-diethyl-4-methyl-N-propylpentan-1-amine
CID 62724440
4,4-bis(chloromethyl)-2-methyloctane
CID 79448135
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
2,2-diethyl-N-propylnonan-1-amine
CID 63507422

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine (CID 55220449) is 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine is CCCCC(CC)(CNCC(C)C)CC(C)C.
What is the InChIKey of 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The InChIKey is BJHKVQLTTJIPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-7-9-10-16(8-2,11-14(3)4)13-17-12-15(5)6/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine?
2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 55220449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).