1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine

C9H23N3 — CID 126728251

IUPAC1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine
SMILESCNC(C)NC(C(C)C)N(C)C
InChIInChI=1S/C9H23N3/c1-7(2)9(12(5)6)11-8(3)10-4/h7-11H,1-6H3
InChIKeyURWGUJJOQUDFQD-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.69
Rot. Bonds5

About 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine

1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine (PubChem CID 126728251) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine
PubChem CID126728251
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine
SMILESCNC(C)NC(C(C)C)N(C)C
InChIInChI=1S/C9H23N3/c1-7(2)9(12(5)6)11-8(3)10-4/h7-11H,1-6H3
InChIKeyURWGUJJOQUDFQD-UHFFFAOYSA-N
XLogP0.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 130005288
N,N',N',N",N"-pentamethylmethanetriamine
CID 118529087
3-methanidyl-N-methylbutan-2-amine;uranium(2+)
CID 153000966
3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid
CID 116914027
1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine
CID 166769327
1-N'-(ethylamino)-1-N,2-dimethyl-1-N'-(propan-2-ylamino)propane-1,1-diamine
CID 140976966
1-N-methyl-1-N'-phenylethane-1,1-diamine
CID 88759522
N,N-dimethylpropan-2-amine;ethane
CID 143195472
2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine
CID 143703207
N,N'-dimethyl-N"-propan-2-ylmethanetriamine
CID 171585819
N-[1-(methylamino)ethyl]acetamide
CID 87728985
N-[1-(methylamino)ethyl]ethanethioamide
CID 89174793

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine?
The IUPAC name of 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine (CID 126728251) is 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine.
What is the SMILES notation for 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine?
The canonical SMILES for 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine is CNC(C)NC(C(C)C)N(C)C.
What is the InChIKey of 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine?
The InChIKey is URWGUJJOQUDFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-7(2)9(12(5)6)11-8(3)10-4/h7-11H,1-6H3.
What are the key properties of 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine?
1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N',2-trimethyl-1-N-[1-(methylamino)ethyl]propane-1,1-diamine is sourced from PubChem (CID 126728251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).