3,7-dimethyl-1-prop-2-enyl-1,4-diazepane

C10H20N2 — CID 64869578

IUPAC3,7-dimethyl-1-prop-2-enyl-1,4-diazepane
SMILESC=CCN1CC(C)NCCC1C
InChIInChI=1S/C10H20N2/c1-4-7-12-8-9(2)11-6-5-10(12)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyQKTYBBLYVISGME-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds2

About 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane

3,7-dimethyl-1-prop-2-enyl-1,4-diazepane (PubChem CID 64869578) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane.

Molecular Properties

Compound Name3,7-dimethyl-1-prop-2-enyl-1,4-diazepane
PubChem CID64869578
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3,7-dimethyl-1-prop-2-enyl-1,4-diazepane
SMILESC=CCN1CC(C)NCCC1C
InChIInChI=1S/C10H20N2/c1-4-7-12-8-9(2)11-6-5-10(12)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyQKTYBBLYVISGME-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane?
The IUPAC name of 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane (CID 64869578) is 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane.
What is the SMILES notation for 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane?
The canonical SMILES for 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane is C=CCN1CC(C)NCCC1C.
What is the InChIKey of 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane?
The InChIKey is QKTYBBLYVISGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-7-12-8-9(2)11-6-5-10(12)3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane?
3,7-dimethyl-1-prop-2-enyl-1,4-diazepane has a molecular weight of 168.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-prop-2-enyl-1,4-diazepane is sourced from PubChem (CID 64869578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).