N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine

C11H27N3 — CID 90693436

IUPACN,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCNCC(C)(CNC)CNCC(C)C
InChIInChI=1S/C11H27N3/c1-10(2)6-14-9-11(3,7-12-4)8-13-5/h10,12-14H,6-9H2,1-5H3
InChIKeyVOWLMWUKXSEQJX-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.68
Rot. Bonds8

About N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine

N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 90693436) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID90693436
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCNCC(C)(CNC)CNCC(C)C
InChIInChI=1S/C11H27N3/c1-10(2)6-14-9-11(3,7-12-4)8-13-5/h10,12-14H,6-9H2,1-5H3
InChIKeyVOWLMWUKXSEQJX-UHFFFAOYSA-N
XLogP0.68
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
CID 80559417
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
CID 175939227
CID 175939227
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine (CID 90693436) is N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine is CNCC(C)(CNC)CNCC(C)C.
What is the InChIKey of N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is VOWLMWUKXSEQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-10(2)6-14-9-11(3,7-12-4)8-13-5/h10,12-14H,6-9H2,1-5H3.
What are the key properties of N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine?
N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 90693436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).