1,4,7-trimethyl-1,4,7-triazonan-2-amine

C9H22N4 — CID 91169471

IUPAC1,4,7-trimethyl-1,4,7-triazonan-2-amine
SMILESCN1CCN(C)CC(N)N(C)CC1
InChIInChI=1S/C9H22N4/c1-11-4-5-12(2)8-9(10)13(3)7-6-11/h9H,4-8,10H2,1-3H3
InChIKeyLQJCEKNFJMHZSB-UHFFFAOYSA-N
MW186.30 g/mol
LogP-0.92
Rot. Bonds

About 1,4,7-trimethyl-1,4,7-triazonan-2-amine

1,4,7-trimethyl-1,4,7-triazonan-2-amine (PubChem CID 91169471) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,4,7-trimethyl-1,4,7-triazonan-2-amine.

Molecular Properties

Compound Name1,4,7-trimethyl-1,4,7-triazonan-2-amine
PubChem CID91169471
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1,4,7-trimethyl-1,4,7-triazonan-2-amine
SMILESCN1CCN(C)CC(N)N(C)CC1
InChIInChI=1S/C9H22N4/c1-11-4-5-12(2)8-9(10)13(3)7-6-11/h9H,4-8,10H2,1-3H3
InChIKeyLQJCEKNFJMHZSB-UHFFFAOYSA-N
XLogP-0.92
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
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ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926
ethane;1-methylpiperidin-4-amine
CID 123622295
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-amine
CID 63896354
2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane
CID 173283248
cyclobutanamine;1-methylpyrrolidine
CID 167503696
1,4-dimethylpiperazine;ethane
CID 91292414
1-(1,4-dimethylpiperazin-2-yl)-2-methylpropan-1-amine
CID 79659665
2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane
CID 163573249
1,4-dimethyl-2-(trifluoromethyl)piperazine
CID 89212727

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyl-1,4,7-triazonan-2-amine?
The IUPAC name of 1,4,7-trimethyl-1,4,7-triazonan-2-amine (CID 91169471) is 1,4,7-trimethyl-1,4,7-triazonan-2-amine.
What is the SMILES notation for 1,4,7-trimethyl-1,4,7-triazonan-2-amine?
The canonical SMILES for 1,4,7-trimethyl-1,4,7-triazonan-2-amine is CN1CCN(C)CC(N)N(C)CC1.
What is the InChIKey of 1,4,7-trimethyl-1,4,7-triazonan-2-amine?
The InChIKey is LQJCEKNFJMHZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-11-4-5-12(2)8-9(10)13(3)7-6-11/h9H,4-8,10H2,1-3H3.
What are the key properties of 1,4,7-trimethyl-1,4,7-triazonan-2-amine?
1,4,7-trimethyl-1,4,7-triazonan-2-amine has a molecular weight of 186.30 g/mol, XLogP of -0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-1,4,7-triazonan-2-amine is sourced from PubChem (CID 91169471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).