1-methyl-4-prop-1-en-2-yl-1,4-diazepane

C9H18N2 — CID 21366496

IUPAC1-methyl-4-prop-1-en-2-yl-1,4-diazepane
SMILESC=C(C)N1CCCN(C)CC1
InChIInChI=1S/C9H18N2/c1-9(2)11-6-4-5-10(3)7-8-11/h1,4-8H2,2-3H3
InChIKeyVJZWRTNVESKHBP-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.16
Rot. Bonds1

About 1-methyl-4-prop-1-en-2-yl-1,4-diazepane

1-methyl-4-prop-1-en-2-yl-1,4-diazepane (PubChem CID 21366496) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-yl-1,4-diazepane
PubChem CID21366496
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-4-prop-1-en-2-yl-1,4-diazepane
SMILESC=C(C)N1CCCN(C)CC1
InChIInChI=1S/C9H18N2/c1-9(2)11-6-4-5-10(3)7-8-11/h1,4-8H2,2-3H3
InChIKeyVJZWRTNVESKHBP-UHFFFAOYSA-N
XLogP1.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-yl-1,4-diazepane?
The IUPAC name of 1-methyl-4-prop-1-en-2-yl-1,4-diazepane (CID 21366496) is 1-methyl-4-prop-1-en-2-yl-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-yl-1,4-diazepane?
The canonical SMILES for 1-methyl-4-prop-1-en-2-yl-1,4-diazepane is C=C(C)N1CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-prop-1-en-2-yl-1,4-diazepane?
The InChIKey is VJZWRTNVESKHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2)11-6-4-5-10(3)7-8-11/h1,4-8H2,2-3H3.
What are the key properties of 1-methyl-4-prop-1-en-2-yl-1,4-diazepane?
1-methyl-4-prop-1-en-2-yl-1,4-diazepane has a molecular weight of 154.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-yl-1,4-diazepane is sourced from PubChem (CID 21366496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).