1-(4-methoxy-2-methylpentyl)-1,4-diazepane

C12H26N2O — CID 135296429

IUPAC1-(4-methoxy-2-methylpentyl)-1,4-diazepane
SMILESCOC(C)CC(C)CN1CCCNCC1
InChIInChI=1S/C12H26N2O/c1-11(9-12(2)15-3)10-14-7-4-5-13-6-8-14/h11-13H,4-10H2,1-3H3
InChIKeyUCRAVPZPLANFQQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About 1-(4-methoxy-2-methylpentyl)-1,4-diazepane

1-(4-methoxy-2-methylpentyl)-1,4-diazepane (PubChem CID 135296429) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylpentyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(4-methoxy-2-methylpentyl)-1,4-diazepane
PubChem CID135296429
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(4-methoxy-2-methylpentyl)-1,4-diazepane
SMILESCOC(C)CC(C)CN1CCCNCC1
InChIInChI=1S/C12H26N2O/c1-11(9-12(2)15-3)10-14-7-4-5-13-6-8-14/h11-13H,4-10H2,1-3H3
InChIKeyUCRAVPZPLANFQQ-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylpentyl)-1,4-diazepane?
The IUPAC name of 1-(4-methoxy-2-methylpentyl)-1,4-diazepane (CID 135296429) is 1-(4-methoxy-2-methylpentyl)-1,4-diazepane.
What is the SMILES notation for 1-(4-methoxy-2-methylpentyl)-1,4-diazepane?
The canonical SMILES for 1-(4-methoxy-2-methylpentyl)-1,4-diazepane is COC(C)CC(C)CN1CCCNCC1.
What is the InChIKey of 1-(4-methoxy-2-methylpentyl)-1,4-diazepane?
The InChIKey is UCRAVPZPLANFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(9-12(2)15-3)10-14-7-4-5-13-6-8-14/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylpentyl)-1,4-diazepane?
1-(4-methoxy-2-methylpentyl)-1,4-diazepane has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylpentyl)-1,4-diazepane is sourced from PubChem (CID 135296429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).