2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H34N2 — CID 87486817

IUPAC2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)C.CC(C)N(CCN)C(C)C
InChIInChI=1S/C8H20N2.C6H14/c1-7(2)10(6-5-9)8(3)4;1-5(2)6(3)4/h7-8H,5-6,9H2,1-4H3;5-6H,1-4H3
InChIKeyRLIBQXASQIZMKQ-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.36
Rot. Bonds5

About 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine

2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 87486817) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID87486817
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC Name2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)C.CC(C)N(CCN)C(C)C
InChIInChI=1S/C8H20N2.C6H14/c1-7(2)10(6-5-9)8(3)4;1-5(2)6(3)4/h7-8H,5-6,9H2,1-4H3;5-6H,1-4H3
InChIKeyRLIBQXASQIZMKQ-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-di(propan-2-yl)ethane-1,2-diamine;ethane;molecular hydrogen
CID 142371506
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide
CID 174642702
N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 159329709
1-N,1-N-di(propan-2-yl)butane-1,3-diamine
CID 57236538
N-(2-aminoethyl)-N-propan-2-ylhydroxylamine
CID 87369544
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
CID 115505872
N'-butan-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 43137443
ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763
N-[2-[di(propan-2-yl)amino]ethyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 59309380
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropylpropanamide
CID 61350106
2,3-dimethylbutane;ethanamine
CID 130404430

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 87486817) is 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)C(C)C.CC(C)N(CCN)C(C)C.
What is the InChIKey of 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is RLIBQXASQIZMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C6H14/c1-7(2)10(6-5-9)8(3)4;1-5(2)6(3)4/h7-8H,5-6,9H2,1-4H3;5-6H,1-4H3.
What are the key properties of 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine?
2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 230.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 87486817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).