2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine

C14H32N2 — CID 63945751

IUPAC2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)C(C)CCC
InChIInChI=1S/C14H32N2/c1-6-9-11-14(8-3,12-15)16(5)13(4)10-7-2/h13H,6-12,15H2,1-5H3
InChIKeySMDGFDARZAQIQV-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.40
Rot. Bonds9

About 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine

2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine (PubChem CID 63945751) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine
PubChem CID63945751
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)C(C)CCC
InChIInChI=1S/C14H32N2/c1-6-9-11-14(8-3,12-15)16(5)13(4)10-7-2/h13H,6-12,15H2,1-5H3
InChIKeySMDGFDARZAQIQV-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine (CID 63945751) is 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine is CCCCC(CC)(CN)N(C)C(C)CCC.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine?
The InChIKey is SMDGFDARZAQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-9-11-14(8-3,12-15)16(5)13(4)10-7-2/h13H,6-12,15H2,1-5H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine is sourced from PubChem (CID 63945751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).