N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine

C9H28N4 — CID 160551517

IUPACN,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine
SMILESCCN(C)C.CN.CNCN(C)C
InChIInChI=1S/C4H12N2.C4H11N.CH5N/c1-5-4-6(2)3;1-4-5(2)3;1-2/h5H,4H2,1-3H3;4H2,1-3H3;2H2,1H3
InChIKeyQYDFAXWXKFCWHF-UHFFFAOYSA-N
MW192.35 g/mol
LogP-0.13
Rot. Bonds3

About N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine

N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine (PubChem CID 160551517) has the molecular formula C9H28N4 and a molecular weight of 192.35 g/mol. Its IUPAC name is N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine.

Molecular Properties

Compound NameN,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine
PubChem CID160551517
Molecular FormulaC9H28N4
Molecular Weight192.35 g/mol
Exact Mass192.23
IUPAC NameN,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine
SMILESCCN(C)C.CN.CNCN(C)C
InChIInChI=1S/C4H12N2.C4H11N.CH5N/c1-5-4-6(2)3;1-4-5(2)3;1-2/h5H,4H2,1-3H3;4H2,1-3H3;2H2,1H3
InChIKeyQYDFAXWXKFCWHF-UHFFFAOYSA-N
XLogP-0.13
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,8-Dimethyl-1,3,6,8,10,13-hexaazacyclotetradecane
CID 12178633
Tris(dimethylamino)ethylamine
CID 133188401
3,10-Dimethyl-1,3,6,8,10,12-hexaazacyclotetradecane
CID 129880862
1-N,1-N',1-N'-trimethylethane-1,1-diamine
CID 11062323
3,10-Diethyl-1,3,5,8,10,12-hexazacyclotetradecane
CID 12130204
N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine
CID 18714435
N'-ethyl-N,N'-dimethylmethanediamine
CID 18715987
1-N-[[1-(dimethylamino)ethylamino]methyl]-1-N',1-N'-dimethylethane-1,1-diamine
CID 18935183
1-N,1-N'-dimethylethane-1,1-diamine;ethane-1,1-diamine
CID 19996252
1-N,1-N',1-N',1-N",1-N"-pentamethylethane-1,1,1-triamine
CID 20485448
Diethylaminomethyl(methyl)azanium
CID 20646131
N',N'-diethyl-N-methylmethanediamine
CID 20646132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine?
The IUPAC name of N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine (CID 160551517) is N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine.
What is the SMILES notation for N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine?
The canonical SMILES for N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine is CCN(C)C.CN.CNCN(C)C.
What is the InChIKey of N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine?
The InChIKey is QYDFAXWXKFCWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.C4H11N.CH5N/c1-5-4-6(2)3;1-4-5(2)3;1-2/h5H,4H2,1-3H3;4H2,1-3H3;2H2,1H3.
What are the key properties of N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine?
N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine has a molecular weight of 192.35 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine is sourced from PubChem (CID 160551517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).