2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine

C14H32N2 — CID 62422422

IUPAC2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(C)CN(C)C(CC)CNCC(C)C
InChIInChI=1S/C14H32N2/c1-7-13(5)11-16(6)14(8-2)10-15-9-12(3)4/h12-15H,7-11H2,1-6H3
InChIKeyKLEIIEPGUYZUIW-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds9

About 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine

2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 62422422) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID62422422
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(C)CN(C)C(CC)CNCC(C)C
InChIInChI=1S/C14H32N2/c1-7-13(5)11-16(6)14(8-2)10-15-9-12(3)4/h12-15H,7-11H2,1-6H3
InChIKeyKLEIIEPGUYZUIW-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 79480134
N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62463714
1-[methyl(2-methylbutyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474908
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63209169
3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019378
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55069085
2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 43295523
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83043429
2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422455
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
CID 175939227
CID 175939227

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine (CID 62422422) is 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine is CCC(C)CN(C)C(CC)CNCC(C)C.
What is the InChIKey of 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is KLEIIEPGUYZUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-13(5)11-16(6)14(8-2)10-15-9-12(3)4/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 62422422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).