N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide

C10H21N3 — CID 90248355

IUPACN-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide
SMILESC=CCN(/C=N/C)CCCNCC
InChIInChI=1S/C10H21N3/c1-4-8-13(10-11-3)9-6-7-12-5-2/h4,10,12H,1,5-9H2,2-3H3/b11-10+
InChIKeySXEPSJFXXXDSOO-ZHACJKMWSA-N
MW183.30 g/mol
LogP1.13
Rot. Bonds8

About N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide

N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide (PubChem CID 90248355) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide
PubChem CID90248355
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide
SMILESC=CCN(/C=N/C)CCCNCC
InChIInChI=1S/C10H21N3/c1-4-8-13(10-11-3)9-6-7-12-5-2/h4,10,12H,1,5-9H2,2-3H3/b11-10+
InChIKeySXEPSJFXXXDSOO-ZHACJKMWSA-N
XLogP1.13
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide?
The IUPAC name of N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide (CID 90248355) is N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide is C=CCN(/C=N/C)CCCNCC.
What is the InChIKey of N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide?
The InChIKey is SXEPSJFXXXDSOO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-8-13(10-11-3)9-6-7-12-5-2/h4,10,12H,1,5-9H2,2-3H3/b11-10+.
What are the key properties of N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide?
N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide is sourced from PubChem (CID 90248355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).