N-pent-2-ynyl-N-propylpent-2-yn-1-amine

C13H21N — CID 14092319

IUPACN-pent-2-ynyl-N-propylpent-2-yn-1-amine
SMILESCCC#CCN(CC#CCC)CCC
InChIInChI=1S/C13H21N/c1-4-7-9-12-14(11-6-3)13-10-8-5-2/h4-6,11-13H2,1-3H3
InChIKeyWIJVADZQWWJZFS-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.53
Rot. Bonds4

About N-pent-2-ynyl-N-propylpent-2-yn-1-amine

N-pent-2-ynyl-N-propylpent-2-yn-1-amine (PubChem CID 14092319) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-pent-2-ynyl-N-propylpent-2-yn-1-amine.

Molecular Properties

Compound NameN-pent-2-ynyl-N-propylpent-2-yn-1-amine
PubChem CID14092319
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-pent-2-ynyl-N-propylpent-2-yn-1-amine
SMILESCCC#CCN(CC#CCC)CCC
InChIInChI=1S/C13H21N/c1-4-7-9-12-14(11-6-3)13-10-8-5-2/h4-6,11-13H2,1-3H3
InChIKeyWIJVADZQWWJZFS-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.53
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-pent-2-ynyl-N-propylpent-2-yn-1-amine?
The IUPAC name of N-pent-2-ynyl-N-propylpent-2-yn-1-amine (CID 14092319) is N-pent-2-ynyl-N-propylpent-2-yn-1-amine.
What is the SMILES notation for N-pent-2-ynyl-N-propylpent-2-yn-1-amine?
The canonical SMILES for N-pent-2-ynyl-N-propylpent-2-yn-1-amine is CCC#CCN(CC#CCC)CCC.
What is the InChIKey of N-pent-2-ynyl-N-propylpent-2-yn-1-amine?
The InChIKey is WIJVADZQWWJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-7-9-12-14(11-6-3)13-10-8-5-2/h4-6,11-13H2,1-3H3.
What are the key properties of N-pent-2-ynyl-N-propylpent-2-yn-1-amine?
N-pent-2-ynyl-N-propylpent-2-yn-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-2-ynyl-N-propylpent-2-yn-1-amine is sourced from PubChem (CID 14092319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).