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

C15H33N3O3 — CID 145160419

IUPAC(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene
SMILESC=CC.C=CCOCCN(N)/C=C(\N)COC.CCOC
InChIInChI=1S/C9H19N3O2.C3H8O.C3H6/c1-3-5-14-6-4-12(11)7-9(10)8-13-2;1-3-4-2;1-3-2/h3,7H,1,4-6,8,10-11H2,2H3;3H2,1-2H3;3H,1H2,2H3/b9-7-;;
InChIKeyXNZKFLCJEZSALU-COUYFGMESA-N
MW303.45 g/mol
LogP1.66
Rot. Bonds9

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

(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene (PubChem CID 145160419) has the molecular formula C15H33N3O3 and a molecular weight of 303.45 g/mol. Its IUPAC name is (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene.

Molecular Properties

Compound Name(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene
PubChem CID145160419
Molecular FormulaC15H33N3O3
Molecular Weight303.45 g/mol
Exact Mass303.25
IUPAC Name(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene
SMILESC=CC.C=CCOCCN(N)/C=C(\N)COC.CCOC
InChIInChI=1S/C9H19N3O2.C3H8O.C3H6/c1-3-5-14-6-4-12(11)7-9(10)8-13-2;1-3-4-2;1-3-2/h3,7H,1,4-6,8,10-11H2,2H3;3H2,1-2H3;3H,1H2,2H3/b9-7-;;
InChIKeyXNZKFLCJEZSALU-COUYFGMESA-N
XLogP1.66
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine;ethane
CID 144004090
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
(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
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine
CID 145160420
(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine
CID 164586107
(Z)-1-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-1-en-2-amine
CID 169106552

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene?
The IUPAC name of (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene (CID 145160419) is (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene.
What is the SMILES notation for (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene?
The canonical SMILES for (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene is C=CC.C=CCOCCN(N)/C=C(\N)COC.CCOC.
What is the InChIKey of (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene?
The InChIKey is XNZKFLCJEZSALU-COUYFGMESA-N. The full InChI is InChI=1S/C9H19N3O2.C3H8O.C3H6/c1-3-5-14-6-4-12(11)7-9(10)8-13-2;1-3-4-2;1-3-2/h3,7H,1,4-6,8,10-11H2,2H3;3H2,1-2H3;3H,1H2,2H3/b9-7-;;.
What are the key properties of (Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene?
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene has a molecular weight of 303.45 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 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;methoxyethane;prop-1-ene is sourced from PubChem (CID 145160419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).