2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine

C16H36N2 — CID 63471970

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine
SMILESCCC(CC)CN(CC)C(C)(CN)CCC(C)C
InChIInChI=1S/C16H36N2/c1-7-15(8-2)12-18(9-3)16(6,13-17)11-10-14(4)5/h14-15H,7-13,17H2,1-6H3
InChIKeyPQODSPLYECGAEP-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.90
Rot. Bonds10

About 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine (PubChem CID 63471970) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine
PubChem CID63471970
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine
SMILESCCC(CC)CN(CC)C(C)(CN)CCC(C)C
InChIInChI=1S/C16H36N2/c1-7-15(8-2)12-18(9-3)16(6,13-17)11-10-14(4)5/h14-15H,7-13,17H2,1-6H3
InChIKeyPQODSPLYECGAEP-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43274363
2-N-(cyclopropylmethyl)-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 63956765
2-N-ethyl-2-methyl-2-N-(2-methylpentyl)butane-1,2-diamine
CID 62265004
2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
CID 60709986
2-N-cyclopentyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43540970
2-N-cyclohexyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43409655
2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine
CID 112658708
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
CID 78974063
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine (CID 63471970) is 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine is CCC(CC)CN(CC)C(C)(CN)CCC(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine?
The InChIKey is PQODSPLYECGAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-15(8-2)12-18(9-3)16(6,13-17)11-10-14(4)5/h14-15H,7-13,17H2,1-6H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine is sourced from PubChem (CID 63471970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).