N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine

C11H13N — CID 170403775

IUPACN-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine
SMILESC=CC#CCN(C)CC#CC=C
InChIInChI=1S/C11H13N/c1-4-6-8-10-12(3)11-9-7-5-2/h4-5H,1-2,10-11H2,3H3
InChIKeyJNCLUUCDGQBZKP-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.30
Rot. Bonds2

About N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine

N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine (PubChem CID 170403775) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine
PubChem CID170403775
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine
SMILESC=CC#CCN(C)CC#CC=C
InChIInChI=1S/C11H13N/c1-4-6-8-10-12(3)11-9-7-5-2/h4-5H,1-2,10-11H2,3H3
InChIKeyJNCLUUCDGQBZKP-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.30
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-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine?
The IUPAC name of N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine (CID 170403775) is N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine?
The canonical SMILES for N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine is C=CC#CCN(C)CC#CC=C.
What is the InChIKey of N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine?
The InChIKey is JNCLUUCDGQBZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-4-6-8-10-12(3)11-9-7-5-2/h4-5H,1-2,10-11H2,3H3.
What are the key properties of N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine?
N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine has a molecular weight of 159.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine is sourced from PubChem (CID 170403775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).