N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine

C17H38N2 — CID 79482264

IUPACN'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
SMILESCCC(C)CN(CC)CCCCCCNCC(C)C
InChIInChI=1S/C17H38N2/c1-6-17(5)15-19(7-2)13-11-9-8-10-12-18-14-16(3)4/h16-18H,6-15H2,1-5H3
InChIKeyQHQLOPFXGLHRPH-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.16
Rot. Bonds13

About N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine

N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine (PubChem CID 79482264) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
PubChem CID79482264
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
SMILESCCC(C)CN(CC)CCCCCCNCC(C)C
InChIInChI=1S/C17H38N2/c1-6-17(5)15-19(7-2)13-11-9-8-10-12-18-14-16(3)4/h16-18H,6-15H2,1-5H3
InChIKeyQHQLOPFXGLHRPH-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
N'-ethyl-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595
N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 62426095
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482603
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
N-ethyl-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62420843
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79478022
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine (CID 79482264) is N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine is CCC(C)CN(CC)CCCCCCNCC(C)C.
What is the InChIKey of N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine?
The InChIKey is QHQLOPFXGLHRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-6-17(5)15-19(7-2)13-11-9-8-10-12-18-14-16(3)4/h16-18H,6-15H2,1-5H3.
What are the key properties of N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine?
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.16, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine is sourced from PubChem (CID 79482264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).