2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide

C12H20N2 — CID 174252785

IUPAC2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide
SMILESC=C(C)/C(=N\C=CC)NC=CCCC
InChIInChI=1S/C12H20N2/c1-5-7-8-10-14-12(11(3)4)13-9-6-2/h6,8-10H,3,5,7H2,1-2,4H3,(H,13,14)
InChIKeyUXQUKUFYHJCJSR-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.40
Rot. Bonds5

About 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide

2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide (PubChem CID 174252785) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide.

Molecular Properties

Compound Name2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide
PubChem CID174252785
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide
SMILESC=C(C)/C(=N\C=CC)NC=CCCC
InChIInChI=1S/C12H20N2/c1-5-7-8-10-14-12(11(3)4)13-9-6-2/h6,8-10H,3,5,7H2,1-2,4H3,(H,13,14)
InChIKeyUXQUKUFYHJCJSR-UHFFFAOYSA-N
XLogP3.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 173810774
CID 173810774
CID 145149501
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CID 90783163
CID 90783163
CID 91246509
CID 91246509
CID 123143968
CID 123143968
CID 123196788
CID 123196788
CID 123477375
CID 123477375
CID 123851049
CID 123851049
CID 123900638
CID 123900638
CID 123914489
CID 123914489
CID 129157578
CID 129157578
CID 130179056
CID 130179056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide?
The IUPAC name of 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide (CID 174252785) is 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide.
What is the SMILES notation for 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide?
The canonical SMILES for 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide is C=C(C)/C(=N\C=CC)NC=CCCC.
What is the InChIKey of 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide?
The InChIKey is UXQUKUFYHJCJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-8-10-14-12(11(3)4)13-9-6-2/h6,8-10H,3,5,7H2,1-2,4H3,(H,13,14).
What are the key properties of 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide?
2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide has a molecular weight of 192.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide is sourced from PubChem (CID 174252785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).