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

C12H28N2 — CID 62432362

IUPAC1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
SMILESCCCC(C)N(C)C(CC)CNCC
InChIInChI=1S/C12H28N2/c1-6-9-11(4)14(5)12(7-2)10-13-8-3/h11-13H,6-10H2,1-5H3
InChIKeyFDKMYHKHHJLHFX-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.49
Rot. Bonds8

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

1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine (PubChem CID 62432362) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
PubChem CID62432362
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
SMILESCCCC(C)N(C)C(CC)CNCC
InChIInChI=1S/C12H28N2/c1-6-9-11(4)14(5)12(7-2)10-13-8-3/h11-13H,6-10H2,1-5H3
InChIKeyFDKMYHKHHJLHFX-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-3-N-methyl-3-N-pentan-3-ylbutane-1,3-diamine
CID 62434112
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83043429
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 62433170
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
CID 83043329
1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83054722
3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 103225752
1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine
CID 162382785
2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62463216
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-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81067503

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine (CID 62432362) is 1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine is CCCC(C)N(C)C(CC)CNCC.
What is the InChIKey of 1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine?
The InChIKey is FDKMYHKHHJLHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-9-11(4)14(5)12(7-2)10-13-8-3/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine?
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.49, 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-methyl-2-N-pentan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62432362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).