4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine

C15H30N2 — CID 79067883

IUPAC4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine
SMILESC#CC(NCCC)C(CC)(CC)N(CC)CC
InChIInChI=1S/C15H30N2/c1-7-13-16-14(8-2)15(9-3,10-4)17(11-5)12-6/h2,14,16H,7,9-13H2,1,3-6H3
InChIKeyBCRVSJWSAJIPNW-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds9

About 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine

4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine (PubChem CID 79067883) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine
PubChem CID79067883
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine
SMILESC#CC(NCCC)C(CC)(CC)N(CC)CC
InChIInChI=1S/C15H30N2/c1-7-13-16-14(8-2)15(9-3,10-4)17(11-5)12-6/h2,14,16H,7,9-13H2,1,3-6H3
InChIKeyBCRVSJWSAJIPNW-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
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 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine?
The IUPAC name of 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine (CID 79067883) is 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine.
What is the SMILES notation for 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine?
The canonical SMILES for 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine is C#CC(NCCC)C(CC)(CC)N(CC)CC.
What is the InChIKey of 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine?
The InChIKey is BCRVSJWSAJIPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-13-16-14(8-2)15(9-3,10-4)17(11-5)12-6/h2,14,16H,7,9-13H2,1,3-6H3.
What are the key properties of 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine?
4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,4-triethyl-3-N-propylhex-1-yne-3,4-diamine is sourced from PubChem (CID 79067883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).