7-methyl-1-prop-2-enyl-1,4-diazepane

C9H18N2 — CID 64871574

IUPAC7-methyl-1-prop-2-enyl-1,4-diazepane
SMILESC=CCN1CCNCCC1C
InChIInChI=1S/C9H18N2/c1-3-7-11-8-6-10-5-4-9(11)2/h3,9-10H,1,4-8H2,2H3
InChIKeyYSIRFNHYOJTCML-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds2

About 7-methyl-1-prop-2-enyl-1,4-diazepane

7-methyl-1-prop-2-enyl-1,4-diazepane (PubChem CID 64871574) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 7-methyl-1-prop-2-enyl-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-prop-2-enyl-1,4-diazepane
PubChem CID64871574
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name7-methyl-1-prop-2-enyl-1,4-diazepane
SMILESC=CCN1CCNCCC1C
InChIInChI=1S/C9H18N2/c1-3-7-11-8-6-10-5-4-9(11)2/h3,9-10H,1,4-8H2,2H3
InChIKeyYSIRFNHYOJTCML-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Prop-2-en-1-yl)-1,4-diazepane
CID 22921984
1-(Prop-2-en-1-yl)-1,4-diazepane dihydrochloride
CID 137964628
1-Prop-2-enyl-7-(trifluoromethyl)-1,4-diazepane
CID 130817014
1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine
CID 43199370
1-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
CID 54287033
N-methyl-1-prop-2-enylpyrrolidin-3-amine
CID 54384316
3-Methylidene-1-propan-2-yl-1,4-diazepane
CID 57530983
1-propan-2-yl-N-prop-2-enylpyrrolidin-3-amine
CID 61979873
1-N,1-N-dimethyl-3-N-prop-2-enylbutane-1,3-diamine
CID 62140698
1-methyl-N-prop-2-enylpyrrolidin-3-amine
CID 62142409
2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558150
N'-methyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
CID 62574828

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-prop-2-enyl-1,4-diazepane?
The IUPAC name of 7-methyl-1-prop-2-enyl-1,4-diazepane (CID 64871574) is 7-methyl-1-prop-2-enyl-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-prop-2-enyl-1,4-diazepane?
The canonical SMILES for 7-methyl-1-prop-2-enyl-1,4-diazepane is C=CCN1CCNCCC1C.
What is the InChIKey of 7-methyl-1-prop-2-enyl-1,4-diazepane?
The InChIKey is YSIRFNHYOJTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-7-11-8-6-10-5-4-9(11)2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 7-methyl-1-prop-2-enyl-1,4-diazepane?
7-methyl-1-prop-2-enyl-1,4-diazepane has a molecular weight of 154.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-prop-2-enyl-1,4-diazepane is sourced from PubChem (CID 64871574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).