1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine

C13H30N2 — CID 62433170

IUPAC1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine
SMILESCCNCC(C(C)C)N(C)C(CC)CC
InChIInChI=1S/C13H30N2/c1-7-12(8-2)15(6)13(11(4)5)10-14-9-3/h11-14H,7-10H2,1-6H3
InChIKeyJHOQQXVDXWCIMN-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds8

About 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine

1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine (PubChem CID 62433170) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine
PubChem CID62433170
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine
SMILESCCNCC(C(C)C)N(C)C(CC)CC
InChIInChI=1S/C13H30N2/c1-7-12(8-2)15(6)13(11(4)5)10-14-9-3/h11-14H,7-10H2,1-6H3
InChIKeyJHOQQXVDXWCIMN-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-2-N,3-dimethyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112665752
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362
1-N-ethyl-3-N-methyl-3-N-pentan-3-ylbutane-1,3-diamine
CID 62434112
1-N-ethyl-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 62461668
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225707
1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81067503
2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 55072484
1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
N,2-dimethyl-N-(2-methylpentan-3-yl)pentan-3-amine
CID 134315332
2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
CID 102997714
1-N-ethyl-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 62461616
1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427552

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine (CID 62433170) is 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine is CCNCC(C(C)C)N(C)C(CC)CC.
What is the InChIKey of 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine?
The InChIKey is JHOQQXVDXWCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-12(8-2)15(6)13(11(4)5)10-14-9-3/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine?
1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine is sourced from PubChem (CID 62433170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).