N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide

C14H27N3 — CID 144987889

IUPACN-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide
SMILES[H]/N=C(\C(=C)CNC)N(CC=C)C(CC)CCC
InChIInChI=1S/C14H27N3/c1-6-9-13(8-3)17(10-7-2)14(15)12(4)11-16-5/h7,13,15-16H,2,4,6,8-11H2,1,3,5H3/b15-14+
InChIKeyRMPXWXRDCIONHG-CCEZHUSRSA-N
MW237.39 g/mol
LogP2.81
Rot. Bonds9

About N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide

N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide (PubChem CID 144987889) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide.

Molecular Properties

Compound NameN-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide
PubChem CID144987889
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide
SMILES[H]/N=C(\C(=C)CNC)N(CC=C)C(CC)CCC
InChIInChI=1S/C14H27N3/c1-6-9-13(8-3)17(10-7-2)14(15)12(4)11-16-5/h7,13,15-16H,2,4,6,8-11H2,1,3,5H3/b15-14+
InChIKeyRMPXWXRDCIONHG-CCEZHUSRSA-N
XLogP2.81
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide?
The IUPAC name of N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide (CID 144987889) is N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide.
What is the SMILES notation for N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide?
The canonical SMILES for N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide is [H]/N=C(\C(=C)CNC)N(CC=C)C(CC)CCC.
What is the InChIKey of N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide?
The InChIKey is RMPXWXRDCIONHG-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-9-13(8-3)17(10-7-2)14(15)12(4)11-16-5/h7,13,15-16H,2,4,6,8-11H2,1,3,5H3/b15-14+.
What are the key properties of N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide?
N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide has a molecular weight of 237.39 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide is sourced from PubChem (CID 144987889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).