(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine

C9H19N3O2 — CID 145160420

IUPAC(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine
SMILESC=CCOCCN(N)/C=C(\N)COC
InChIInChI=1S/C9H19N3O2/c1-3-5-14-6-4-12(11)7-9(10)8-13-2/h3,7H,1,4-6,8,10-11H2,2H3/b9-7-
InChIKeyHQTSEDXNPXMRIX-CLFYSBASSA-N
MW201.27 g/mol
LogP-0.19
Rot. Bonds8

About (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine

(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine (PubChem CID 145160420) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine
PubChem CID145160420
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine
SMILESC=CCOCCN(N)/C=C(\N)COC
InChIInChI=1S/C9H19N3O2/c1-3-5-14-6-4-12(11)7-9(10)8-13-2/h3,7H,1,4-6,8,10-11H2,2H3/b9-7-
InChIKeyHQTSEDXNPXMRIX-CLFYSBASSA-N
XLogP-0.19
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.19
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
CID 130458447
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(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
CID 164586106
(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
CID 164586117
(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(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 178050350
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol
CID 144584894
1-[amino-[(Z)-2-amino-3-methoxyprop-1-enyl]amino]-2-methyl-3-prop-2-enoxypropane-2-thiol
CID 145160424
(Z)-1-[amino(ethyl)amino]-3-methoxyprop-1-en-2-amine
CID 145610871

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine (CID 145160420) is (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine is C=CCOCCN(N)/C=C(\N)COC.
What is the InChIKey of (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine?
The InChIKey is HQTSEDXNPXMRIX-CLFYSBASSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-5-14-6-4-12(11)7-9(10)8-13-2/h3,7H,1,4-6,8,10-11H2,2H3/b9-7-.
What are the key properties of (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine?
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine has a molecular weight of 201.27 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine is sourced from PubChem (CID 145160420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).