N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine

C13H30N2 — CID 159238333

IUPACN,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine
SMILESCN(CN(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C13H30N2/c1-12(2,3)9-14(7)11-15(8)10-13(4,5)6/h9-11H2,1-8H3
InChIKeyLIXIIMOKCHWWOW-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.90
Rot. Bonds4

About N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine

N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine (PubChem CID 159238333) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine
PubChem CID159238333
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine
SMILESCN(CN(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C13H30N2/c1-12(2,3)9-14(7)11-15(8)10-13(4,5)6/h9-11H2,1-8H3
InChIKeyLIXIIMOKCHWWOW-UHFFFAOYSA-N
XLogP2.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-N,2,2-trimethylpropan-1-amine
CID 115263125
N-(2-iodoethyl)-N,2,2-trimethylpropan-1-amine
CID 130693540
1-N-(2,2-dimethylpropyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62846953
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
[2,2-dimethylpropyl(methyl)amino]methyl-trifluoroboranuide
CID 63702814
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
methane;N,N,2,2-tetramethylpropan-1-amine
CID 160781651
lithium;hydride;N,N,2,2-tetramethylpropan-1-amine
CID 174663551
N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine
CID 65233192
6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
CID 62227650
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 63053244

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine?
The IUPAC name of N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine (CID 159238333) is N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine is CN(CN(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine?
The InChIKey is LIXIIMOKCHWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-12(2,3)9-14(7)11-15(8)10-13(4,5)6/h9-11H2,1-8H3.
What are the key properties of N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine?
N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine has a molecular weight of 214.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 159238333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).