(Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine

C20H31N3 — CID 176542742

IUPAC(Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine
SMILESC=C=C1NC(CN(C)C/C(C)=C\CC)=NC(/C=C(/C)CC)=C1C
InChIInChI=1S/C20H31N3/c1-8-11-16(5)13-23(7)14-20-21-18(10-3)17(6)19(22-20)12-15(4)9-2/h11-12H,3,8-9,13-14H2,1-2,4-7H3,(H,21,22)/b15-12-,16-11-
InChIKeyZBBJBFFGAJTWQQ-IDLVQZBLSA-N
MW313.49 g/mol
LogP4.58
Rot. Bonds7

About (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine

(Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine (PubChem CID 176542742) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine
PubChem CID176542742
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine
SMILESC=C=C1NC(CN(C)C/C(C)=C\CC)=NC(/C=C(/C)CC)=C1C
InChIInChI=1S/C20H31N3/c1-8-11-16(5)13-23(7)14-20-21-18(10-3)17(6)19(22-20)12-15(4)9-2/h11-12H,3,8-9,13-14H2,1-2,4-7H3,(H,21,22)/b15-12-,16-11-
InChIKeyZBBJBFFGAJTWQQ-IDLVQZBLSA-N
XLogP4.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine?
The IUPAC name of (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine (CID 176542742) is (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine.
What is the SMILES notation for (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine?
The canonical SMILES for (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine is C=C=C1NC(CN(C)C/C(C)=C\CC)=NC(/C=C(/C)CC)=C1C.
What is the InChIKey of (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine?
The InChIKey is ZBBJBFFGAJTWQQ-IDLVQZBLSA-N. The full InChI is InChI=1S/C20H31N3/c1-8-11-16(5)13-23(7)14-20-21-18(10-3)17(6)19(22-20)12-15(4)9-2/h11-12H,3,8-9,13-14H2,1-2,4-7H3,(H,21,22)/b15-12-,16-11-.
What are the key properties of (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine?
(Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine has a molecular weight of 313.49 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[6-ethenylidene-5-methyl-4-[(Z)-2-methylbut-1-enyl]-1H-pyrimidin-2-yl]methyl]-N,2-dimethylpent-2-en-1-amine is sourced from PubChem (CID 176542742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).