N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide

C9H19N3 — CID 166987883

IUPACN-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide
SMILESC=C(CCCN(C)C)N/C=N/C
InChIInChI=1S/C9H19N3/c1-9(11-8-10-2)6-5-7-12(3)4/h8H,1,5-7H2,2-4H3,(H,10,11)
InChIKeyCNRFBODJBJRZRE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.09
Rot. Bonds6

About N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide

N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide (PubChem CID 166987883) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide
PubChem CID166987883
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide
SMILESC=C(CCCN(C)C)N/C=N/C
InChIInChI=1S/C9H19N3/c1-9(11-8-10-2)6-5-7-12(3)4/h8H,1,5-7H2,2-4H3,(H,10,11)
InChIKeyCNRFBODJBJRZRE-UHFFFAOYSA-N
XLogP1.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide (CID 166987883) is N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide is C=C(CCCN(C)C)N/C=N/C.
What is the InChIKey of N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide?
The InChIKey is CNRFBODJBJRZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(11-8-10-2)6-5-7-12(3)4/h8H,1,5-7H2,2-4H3,(H,10,11).
What are the key properties of N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide?
N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 166987883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).