2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine

C14H33N5 — CID 162281630

IUPAC2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine
SMILESCCN(C)C1(N(C)CC)N(C)CCN(C)CCN1C
InChIInChI=1S/C14H33N5/c1-8-16(4)14(17(5)9-2)18(6)12-10-15(3)11-13-19(14)7/h8-13H2,1-7H3
InChIKeyGOBUYKLVXVXRPK-UHFFFAOYSA-N
MW271.45 g/mol
LogP0.31
Rot. Bonds4

About 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine

2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine (PubChem CID 162281630) has the molecular formula C14H33N5 and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine
PubChem CID162281630
Molecular FormulaC14H33N5
Molecular Weight271.45 g/mol
Exact Mass271.27
IUPAC Name2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine
SMILESCCN(C)C1(N(C)CC)N(C)CCN(C)CCN1C
InChIInChI=1S/C14H33N5/c1-8-16(4)14(17(5)9-2)18(6)12-10-15(3)11-13-19(14)7/h8-13H2,1-7H3
InChIKeyGOBUYKLVXVXRPK-UHFFFAOYSA-N
XLogP0.31
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine?
The IUPAC name of 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine (CID 162281630) is 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine.
What is the SMILES notation for 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine?
The canonical SMILES for 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine is CCN(C)C1(N(C)CC)N(C)CCN(C)CCN1C.
What is the InChIKey of 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine?
The InChIKey is GOBUYKLVXVXRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N5/c1-8-16(4)14(17(5)9-2)18(6)12-10-15(3)11-13-19(14)7/h8-13H2,1-7H3.
What are the key properties of 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine?
2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine has a molecular weight of 271.45 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine is sourced from PubChem (CID 162281630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).