2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine

C16H25N3 — CID 167207065

IUPAC2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine
SMILESC#CC(CC1CCNC1=C)N(C)C(=C)CNC(=C)C
InChIInChI=1S/C16H25N3/c1-7-16(10-15-8-9-17-14(15)5)19(6)13(4)11-18-12(2)3/h1,15-18H,2,4-5,8-11H2,3,6H3
InChIKeyWOGRITGSOJJKCV-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.07
Rot. Bonds7

About 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine

2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine (PubChem CID 167207065) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine
PubChem CID167207065
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine
SMILESC#CC(CC1CCNC1=C)N(C)C(=C)CNC(=C)C
InChIInChI=1S/C16H25N3/c1-7-16(10-15-8-9-17-14(15)5)19(6)13(4)11-18-12(2)3/h1,15-18H,2,4-5,8-11H2,3,6H3
InChIKeyWOGRITGSOJJKCV-UHFFFAOYSA-N
XLogP2.07
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine (CID 167207065) is 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine is C#CC(CC1CCNC1=C)N(C)C(=C)CNC(=C)C.
What is the InChIKey of 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine?
The InChIKey is WOGRITGSOJJKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-7-16(10-15-8-9-17-14(15)5)19(6)13(4)11-18-12(2)3/h1,15-18H,2,4-5,8-11H2,3,6H3.
What are the key properties of 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine?
2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[1-(2-methylidenepyrrolidin-3-yl)but-3-yn-2-yl]-1-N-prop-1-en-2-ylprop-2-ene-1,2-diamine is sourced from PubChem (CID 167207065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).