2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

C14H28N2 — CID 114867907

IUPAC2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESC#CCCNC(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C14H28N2/c1-6-7-8-16-14(11-15,9-12(2)3)10-13(4)5/h1,12-13,16H,7-11,15H2,2-5H3
InChIKeyDQMGEPULDDOKOF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.39
Rot. Bonds8

About 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 114867907) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
PubChem CID114867907
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESC#CCCNC(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C14H28N2/c1-6-7-8-16-14(11-15,9-12(2)3)10-13(4)5/h1,12-13,16H,7-11,15H2,2-5H3
InChIKeyDQMGEPULDDOKOF-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (CID 114867907) is 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is C#CCCNC(CN)(CC(C)C)CC(C)C.
What is the InChIKey of 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is DQMGEPULDDOKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-7-8-16-14(11-15,9-12(2)3)10-13(4)5/h1,12-13,16H,7-11,15H2,2-5H3.
What are the key properties of 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 114867907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).