(Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine

C10H22N2O — CID 126663258

IUPAC(Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine
SMILESCC/C=C(/CNC)OCCCNC
InChIInChI=1S/C10H22N2O/c1-4-6-10(9-12-3)13-8-5-7-11-2/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeySFPPWFJCYMMYBY-POHAHGRESA-N
MW186.30 g/mol
LogP1.13
Rot. Bonds8

About (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine

(Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine (PubChem CID 126663258) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine
PubChem CID126663258
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine
SMILESCC/C=C(/CNC)OCCCNC
InChIInChI=1S/C10H22N2O/c1-4-6-10(9-12-3)13-8-5-7-11-2/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeySFPPWFJCYMMYBY-POHAHGRESA-N
XLogP1.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine (CID 126663258) is (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine is CC/C=C(/CNC)OCCCNC.
What is the InChIKey of (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine?
The InChIKey is SFPPWFJCYMMYBY-POHAHGRESA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-10(9-12-3)13-8-5-7-11-2/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-.
What are the key properties of (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine?
(Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine has a molecular weight of 186.30 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine is sourced from PubChem (CID 126663258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).