2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine

C11H26N2 — CID 83043329

IUPAC2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
SMILESCCCC(CNC)N(C)C(C)CC
InChIInChI=1S/C11H26N2/c1-6-8-11(9-12-4)13(5)10(3)7-2/h10-12H,6-9H2,1-5H3
InChIKeyJDSCXSHUKSDKBK-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds7

About 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine

2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 83043329) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
PubChem CID83043329
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
SMILESCCCC(CNC)N(C)C(C)CC
InChIInChI=1S/C11H26N2/c1-6-8-11(9-12-4)13(5)10(3)7-2/h10-12H,6-9H2,1-5H3
InChIKeyJDSCXSHUKSDKBK-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83043429
2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054074
2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62418881
3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 103225752
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060
2-N-(cyclopropylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 83054183
1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362
3-methoxy-2-N-(1-methoxypropan-2-yl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225975
2-N-(cyclobutylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 83055229
1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054321
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine (CID 83043329) is 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine is CCCC(CNC)N(C)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is JDSCXSHUKSDKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-8-11(9-12-4)13(5)10(3)7-2/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine?
2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.10, 7 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-1-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 83043329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).