N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine

C12H19N — CID 15668882

IUPACN,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine
SMILESC#CC(C)(C)N(C)C(C)(C)C#CC
InChIInChI=1S/C12H19N/c1-8-10-12(5,6)13(7)11(3,4)9-2/h2H,1,3-7H3
InChIKeyMZCGYVJXQBGYMP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.13
Rot. Bonds2

About N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine

N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine (PubChem CID 15668882) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine
PubChem CID15668882
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine
SMILESC#CC(C)(C)N(C)C(C)(C)C#CC
InChIInChI=1S/C12H19N/c1-8-10-12(5,6)13(7)11(3,4)9-2/h2H,1,3-7H3
InChIKeyMZCGYVJXQBGYMP-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine?
The IUPAC name of N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine (CID 15668882) is N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine.
What is the SMILES notation for N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine?
The canonical SMILES for N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine is C#CC(C)(C)N(C)C(C)(C)C#CC.
What is the InChIKey of N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine?
The InChIKey is MZCGYVJXQBGYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8-10-12(5,6)13(7)11(3,4)9-2/h2H,1,3-7H3.
What are the key properties of N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine?
N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylbut-3-yn-2-yl)pent-3-yn-2-amine is sourced from PubChem (CID 15668882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).