N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane

C14H28N2 — CID 143695836

IUPACN-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane
SMILESCC.CC/C(=N\C=C(C)C)N(CC)C1CC1
InChIInChI=1S/C12H22N2.C2H6/c1-5-12(13-9-10(3)4)14(6-2)11-7-8-11;1-2/h9,11H,5-8H2,1-4H3;1-2H3/b13-12+;
InChIKeyRXYYAKDWIVMPIU-UEIGIMKUSA-N
MW224.39 g/mol
LogP4.23
Rot. Bonds4

About N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane

N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane (PubChem CID 143695836) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane
PubChem CID143695836
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane
SMILESCC.CC/C(=N\C=C(C)C)N(CC)C1CC1
InChIInChI=1S/C12H22N2.C2H6/c1-5-12(13-9-10(3)4)14(6-2)11-7-8-11;1-2/h9,11H,5-8H2,1-4H3;1-2H3/b13-12+;
InChIKeyRXYYAKDWIVMPIU-UEIGIMKUSA-N
XLogP4.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
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

3-amino-1-cyclopropyl-1,2-diethylguanidine
CID 104883636
2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 55245176
4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine
CID 155215817
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
CID 143406800
N-(2-bromoethyl)-N-cyclopropylpropanamide
CID 80665634
N-ethyl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 162576485
N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide
CID 79115434
1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
ethane;N-ethyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143734601

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane?
The IUPAC name of N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane (CID 143695836) is N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane.
What is the SMILES notation for N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane?
The canonical SMILES for N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane is CC.CC/C(=N\C=C(C)C)N(CC)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane?
The InChIKey is RXYYAKDWIVMPIU-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-5-12(13-9-10(3)4)14(6-2)11-7-8-11;1-2/h9,11H,5-8H2,1-4H3;1-2H3/b13-12+;.
What are the key properties of N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane?
N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane has a molecular weight of 224.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane is sourced from PubChem (CID 143695836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).