4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine

C10H20N2O — CID 89294207

IUPAC4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine
SMILESC=C(CN)OC1CCC(NC)CC1
InChIInChI=1S/C10H20N2O/c1-8(7-11)13-10-5-3-9(12-2)4-6-10/h9-10,12H,1,3-7,11H2,2H3
InChIKeyPTSUHSWNTUNWPB-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.01
Rot. Bonds4

About 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine

4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine (PubChem CID 89294207) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine
PubChem CID89294207
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine
SMILESC=C(CN)OC1CCC(NC)CC1
InChIInChI=1S/C10H20N2O/c1-8(7-11)13-10-5-3-9(12-2)4-6-10/h9-10,12H,1,3-7,11H2,2H3
InChIKeyPTSUHSWNTUNWPB-UHFFFAOYSA-N
XLogP1.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine (CID 89294207) is 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine is C=C(CN)OC1CCC(NC)CC1.
What is the InChIKey of 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine?
The InChIKey is PTSUHSWNTUNWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(7-11)13-10-5-3-9(12-2)4-6-10/h9-10,12H,1,3-7,11H2,2H3.
What are the key properties of 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine?
4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine has a molecular weight of 184.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-en-2-yloxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 89294207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).