2-N,2-N',2-N'-trimethylpropane-2,2-diamine

C6H16N2 — CID 22947929

IUPAC2-N,2-N',2-N'-trimethylpropane-2,2-diamine
SMILESCNC(C)(C)N(C)C
InChIInChI=1S/C6H16N2/c1-6(2,7-3)8(4)5/h7H,1-5H3
InChIKeyJMXCKBLXNYWXQY-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.50
Rot. Bonds2

About 2-N,2-N',2-N'-trimethylpropane-2,2-diamine

2-N,2-N',2-N'-trimethylpropane-2,2-diamine (PubChem CID 22947929) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 2-N,2-N',2-N'-trimethylpropane-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N',2-N'-trimethylpropane-2,2-diamine
PubChem CID22947929
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name2-N,2-N',2-N'-trimethylpropane-2,2-diamine
SMILESCNC(C)(C)N(C)C
InChIInChI=1S/C6H16N2/c1-6(2,7-3)8(4)5/h7H,1-5H3
InChIKeyJMXCKBLXNYWXQY-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
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

2-[[ethyl(methyl)amino]-methylamino]-N-methylpropan-2-amine
CID 129155610
N,N,2-trimethylpropan-2-amine;hydrobromide
CID 175344669
N,2-dimethylpropan-2-amine;bis(N-methylmethanamine)
CID 170750013
1-N"-methylpropane-1,1,1,2,2-pentamine
CID 163613677
N-methyl-2-[oxido-(2-oxido-2-propan-2-ylhydrazinyl)amino]propan-2-amine
CID 163525214
2-N',2-N'-dimethylpropane-2,2-diamine
CID 15097057
CID 175177684
CID 175177684
2-(dimethylamino)propan-2-ol
CID 11251968
N,N-dimethylmethanamine;N-methylmethanamine
CID 22481130
1-N-(2,2-dimethylpropyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62846953
1-N-ethyl-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62848035
N,N',N",N"-tetramethyl-1-phenylmethanetriamine
CID 172823896

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',2-N'-trimethylpropane-2,2-diamine?
The IUPAC name of 2-N,2-N',2-N'-trimethylpropane-2,2-diamine (CID 22947929) is 2-N,2-N',2-N'-trimethylpropane-2,2-diamine.
What is the SMILES notation for 2-N,2-N',2-N'-trimethylpropane-2,2-diamine?
The canonical SMILES for 2-N,2-N',2-N'-trimethylpropane-2,2-diamine is CNC(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N',2-N'-trimethylpropane-2,2-diamine?
The InChIKey is JMXCKBLXNYWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-6(2,7-3)8(4)5/h7H,1-5H3.
What are the key properties of 2-N,2-N',2-N'-trimethylpropane-2,2-diamine?
2-N,2-N',2-N'-trimethylpropane-2,2-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N',2-N'-trimethylpropane-2,2-diamine is sourced from PubChem (CID 22947929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).