(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane

C11H27N3O2 — CID 167461864

IUPAC(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane
SMILESCC.COCCN(N)/C=C(\N)COC(C)C
InChIInChI=1S/C9H21N3O2.C2H6/c1-8(2)14-7-9(10)6-12(11)4-5-13-3;1-2/h6,8H,4-5,7,10-11H2,1-3H3;1-2H3/b9-6-;
InChIKeyREULATSWROXKQX-BORNJIKYSA-N
MW233.36 g/mol
LogP1.06
Rot. Bonds7

About (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane

(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane (PubChem CID 167461864) has the molecular formula C11H27N3O2 and a molecular weight of 233.36 g/mol. Its IUPAC name is (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane
PubChem CID167461864
Molecular FormulaC11H27N3O2
Molecular Weight233.36 g/mol
Exact Mass233.21
IUPAC Name(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane
SMILESCC.COCCN(N)/C=C(\N)COC(C)C
InChIInChI=1S/C9H21N3O2.C2H6/c1-8(2)14-7-9(10)6-12(11)4-5-13-3;1-2/h6,8H,4-5,7,10-11H2,1-3H3;1-2H3/b9-6-;
InChIKeyREULATSWROXKQX-BORNJIKYSA-N
XLogP1.06
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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
3-Methyl-4-(propan-2-yloxymethyl)-1,2-dihydrotriazole
CID 141698824
3-Ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole
CID 142397408
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
(3Z)-3-(aminomethylidene)-6-methyl-1,4-oxazin-4-amine
CID 144931672
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene
CID 145160419
3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine
CID 156530866
(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
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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane (CID 167461864) is (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane is CC.COCCN(N)/C=C(\N)COC(C)C.
What is the InChIKey of (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane?
The InChIKey is REULATSWROXKQX-BORNJIKYSA-N. The full InChI is InChI=1S/C9H21N3O2.C2H6/c1-8(2)14-7-9(10)6-12(11)4-5-13-3;1-2/h6,8H,4-5,7,10-11H2,1-3H3;1-2H3/b9-6-;.
What are the key properties of (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane?
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane has a molecular weight of 233.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane is sourced from PubChem (CID 167461864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).