2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine

C13H26N2 — CID 79055909

IUPAC2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine
SMILESCC#CCC(NC)C(C)(C)N(CC)CC
InChIInChI=1S/C13H26N2/c1-7-10-11-12(14-6)13(4,5)15(8-2)9-3/h12,14H,8-9,11H2,1-6H3
InChIKeyTVADLVAKJYYKEG-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds6

About 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine

2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine (PubChem CID 79055909) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine
PubChem CID79055909
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine
SMILESCC#CCC(NC)C(C)(C)N(CC)CC
InChIInChI=1S/C13H26N2/c1-7-10-11-12(14-6)13(4,5)15(8-2)9-3/h12,14H,8-9,11H2,1-6H3
InChIKeyTVADLVAKJYYKEG-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine (CID 79055909) is 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine is CC#CCC(NC)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine?
The InChIKey is TVADLVAKJYYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-7-10-11-12(14-6)13(4,5)15(8-2)9-3/h12,14H,8-9,11H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine?
2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine is sourced from PubChem (CID 79055909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).