2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine

C12H28N2 — CID 62568783

IUPAC2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
SMILESCCCN(C)C(C)CNC(C)(C)CC
InChIInChI=1S/C12H28N2/c1-7-9-14(6)11(3)10-13-12(4,5)8-2/h11,13H,7-10H2,1-6H3
InChIKeyKIIVGFGTUUNMFI-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.49
Rot. Bonds7

About 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine

2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine (PubChem CID 62568783) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
PubChem CID62568783
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
SMILESCCCN(C)C(C)CNC(C)(C)CC
InChIInChI=1S/C12H28N2/c1-7-9-14(6)11(3)10-13-12(4,5)8-2/h11,13H,7-10H2,1-6H3
InChIKeyKIIVGFGTUUNMFI-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62558337
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
CID 62569145
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112666053
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62554689
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63691618
2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 62568016
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 55087320
2-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809
1-(2-methylbutan-2-ylamino)butan-2-ol
CID 20673371
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine (CID 62568783) is 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine is CCCN(C)C(C)CNC(C)(C)CC.
What is the InChIKey of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine?
The InChIKey is KIIVGFGTUUNMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-9-14(6)11(3)10-13-12(4,5)8-2/h11,13H,7-10H2,1-6H3.
What are the key properties of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine?
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 62568783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).