1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine

C9H23N5 — CID 174514157

IUPAC1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine
SMILESCNC1(N)CC(N)CC(NC)(NC)C1
InChIInChI=1S/C9H23N5/c1-12-8(11)4-7(10)5-9(6-8,13-2)14-3/h7,12-14H,4-6,10-11H2,1-3H3
InChIKeyQITLNWIFDXAFDU-UHFFFAOYSA-N
MW201.32 g/mol
LogP-1.49
Rot. Bonds3

About 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine

1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine (PubChem CID 174514157) has the molecular formula C9H23N5 and a molecular weight of 201.32 g/mol. Its IUPAC name is 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine.

Molecular Properties

Compound Name1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine
PubChem CID174514157
Molecular FormulaC9H23N5
Molecular Weight201.32 g/mol
Exact Mass201.20
IUPAC Name1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine
SMILESCNC1(N)CC(N)CC(NC)(NC)C1
InChIInChI=1S/C9H23N5/c1-12-8(11)4-7(10)5-9(6-8,13-2)14-3/h7,12-14H,4-6,10-11H2,1-3H3
InChIKeyQITLNWIFDXAFDU-UHFFFAOYSA-N
XLogP-1.49
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine?
The IUPAC name of 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine (CID 174514157) is 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine.
What is the SMILES notation for 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine?
The canonical SMILES for 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine is CNC1(N)CC(N)CC(NC)(NC)C1.
What is the InChIKey of 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine?
The InChIKey is QITLNWIFDXAFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N5/c1-12-8(11)4-7(10)5-9(6-8,13-2)14-3/h7,12-14H,4-6,10-11H2,1-3H3.
What are the key properties of 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine?
1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine has a molecular weight of 201.32 g/mol, XLogP of -1.49, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N,3-N'-trimethylcyclohexane-1,1,3,3,5-pentamine is sourced from PubChem (CID 174514157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).