(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane

C12H31N3O2 — CID 164586117

IUPAC(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
SMILESCC.CC.COCCCN(N)/C=C(\N)COC
InChIInChI=1S/C8H19N3O2.2C2H6/c1-12-5-3-4-11(10)6-8(9)7-13-2;2*1-2/h6H,3-5,7,9-10H2,1-2H3;2*1-2H3/b8-6-;;
InChIKeyQNHHQHPPESFKEP-OTDBEEGXSA-N
MW249.40 g/mol
LogP1.70
Rot. Bonds7

About (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane

(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane (PubChem CID 164586117) has the molecular formula C12H31N3O2 and a molecular weight of 249.40 g/mol. Its IUPAC name is (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
PubChem CID164586117
Molecular FormulaC12H31N3O2
Molecular Weight249.40 g/mol
Exact Mass249.24
IUPAC Name(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
SMILESCC.CC.COCCCN(N)/C=C(\N)COC
InChIInChI=1S/C8H19N3O2.2C2H6/c1-12-5-3-4-11(10)6-8(9)7-13-2;2*1-2/h6H,3-5,7,9-10H2,1-2H3;2*1-2H3/b8-6-;;
InChIKeyQNHHQHPPESFKEP-OTDBEEGXSA-N
XLogP1.70
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethyl)-2,3-dimethyl-1H-triazole
CID 132149969
(Z)-1-[amino-[3-methyl-3-(3-methylbutoxy)butyl]amino]-3-methoxyprop-1-en-2-amine
CID 144498192
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene
CID 145160419
(Z)-1-[amino(pentyl)amino]-3-methoxyprop-1-en-2-amine
CID 156057156
(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
CID 164586106
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane
CID 167461864
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 167461865
(Z)-1-[amino(methyl)amino]-3-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-amine
CID 169884635
(Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
CID 170272509
(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 178050350
1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one
CID 142369657

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane (CID 164586117) is (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane is CC.CC.COCCCN(N)/C=C(\N)COC.
What is the InChIKey of (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane?
The InChIKey is QNHHQHPPESFKEP-OTDBEEGXSA-N. The full InChI is InChI=1S/C8H19N3O2.2C2H6/c1-12-5-3-4-11(10)6-8(9)7-13-2;2*1-2/h6H,3-5,7,9-10H2,1-2H3;2*1-2H3/b8-6-;;.
What are the key properties of (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane?
(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane has a molecular weight of 249.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane is sourced from PubChem (CID 164586117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).