2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine

C13H30N2 — CID 62420889

IUPAC2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(CC)C(C)CC
InChIInChI=1S/C13H30N2/c1-6-10-14-11-13(8-3)15(9-4)12(5)7-2/h12-14H,6-11H2,1-5H3
InChIKeyNAEKKETYLONXEU-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds9

About 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine

2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine (PubChem CID 62420889) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine
PubChem CID62420889
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(CC)C(C)CC
InChIInChI=1S/C13H30N2/c1-6-10-14-11-13(8-3)15(9-4)12(5)7-2/h12-14H,6-11H2,1-5H3
InChIKeyNAEKKETYLONXEU-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.88
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

2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1-N-propylpentane-1,2-diamine
CID 83054922
2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine
CID 79490524
2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054074
2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine
CID 63492058
2-methyl-N-propylpropan-1-amine
CID 520943
2-N-cyclohexyl-2-N-ethyl-1-N-propylbutane-1,2-diamine
CID 62423025
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83053921
2-(2-methylpropoxy)-N-propylbutan-1-amine
CID 62443382

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine (CID 62420889) is 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine is CCCNCC(CC)N(CC)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is NAEKKETYLONXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-10-14-11-13(8-3)15(9-4)12(5)7-2/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 9 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-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62420889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).