(Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine

C15H30N6O2 — CID 130276024

IUPAC(Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine
SMILESCC(C)/C(N)=C/N(N)COC(C)(C)OCc1cn(C(C)C)nn1
InChIInChI=1S/C15H30N6O2/c1-11(2)14(16)8-20(17)10-23-15(5,6)22-9-13-7-21(12(3)4)19-18-13/h7-8,11-12H,9-10,16-17H2,1-6H3/b14-8-
InChIKeyZKWIIWIFBULIPP-ZSOIEALJSA-N
MW326.45 g/mol
LogP1.72
Rot. Bonds9

About (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine

(Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine (PubChem CID 130276024) has the molecular formula C15H30N6O2 and a molecular weight of 326.45 g/mol. Its IUPAC name is (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine
PubChem CID130276024
Molecular FormulaC15H30N6O2
Molecular Weight326.45 g/mol
Exact Mass326.24
IUPAC Name(Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine
SMILESCC(C)/C(N)=C/N(N)COC(C)(C)OCc1cn(C(C)C)nn1
InChIInChI=1S/C15H30N6O2/c1-11(2)14(16)8-20(17)10-23-15(5,6)22-9-13-7-21(12(3)4)19-18-13/h7-8,11-12H,9-10,16-17H2,1-6H3/b14-8-
InChIKeyZKWIIWIFBULIPP-ZSOIEALJSA-N
XLogP1.72
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine?
The IUPAC name of (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine (CID 130276024) is (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine is CC(C)/C(N)=C/N(N)COC(C)(C)OCc1cn(C(C)C)nn1.
What is the InChIKey of (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine?
The InChIKey is ZKWIIWIFBULIPP-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H30N6O2/c1-11(2)14(16)8-20(17)10-23-15(5,6)22-9-13-7-21(12(3)4)19-18-13/h7-8,11-12H,9-10,16-17H2,1-6H3/b14-8-.
What are the key properties of (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine?
(Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine has a molecular weight of 326.45 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]amino]-3-methylbut-1-en-2-amine is sourced from PubChem (CID 130276024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).