2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine

C14H32N2 — CID 43274363

IUPAC2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
SMILESCCC(C)N(CC)C(C)(CN)CCC(C)C
InChIInChI=1S/C14H32N2/c1-7-13(5)16(8-2)14(6,11-15)10-9-12(3)4/h12-13H,7-11,15H2,1-6H3
InChIKeyQQWLVCQZKYCBEE-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.26
Rot. Bonds8

About 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine

2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine (PubChem CID 43274363) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
PubChem CID43274363
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
SMILESCCC(C)N(CC)C(C)(CN)CCC(C)C
InChIInChI=1S/C14H32N2/c1-7-13(5)16(8-2)14(6,11-15)10-9-12(3)4/h12-13H,7-11,15H2,1-6H3
InChIKeyQQWLVCQZKYCBEE-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine
CID 63471970
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-(cyclopropylmethyl)-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 63956765
2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine
CID 112658708
2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248
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-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
CID 60709986
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
3,6-dimethylheptan-3-amine;ethane
CID 156844908

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine (CID 43274363) is 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine is CCC(C)N(CC)C(C)(CN)CCC(C)C.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine?
The InChIKey is QQWLVCQZKYCBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-13(5)16(8-2)14(6,11-15)10-9-12(3)4/h12-13H,7-11,15H2,1-6H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine is sourced from PubChem (CID 43274363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).