1-pyrrolidin-1-yldiazepane

C9H19N3 — CID 66967959

IUPAC1-pyrrolidin-1-yldiazepane
SMILESC1CCNN(N2CCCC2)CC1
InChIInChI=1S/C9H19N3/c1-2-6-10-12(9-3-1)11-7-4-5-8-11/h10H,1-9H2
InChIKeyBECBKAOXWGESGJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.99
Rot. Bonds1

About 1-pyrrolidin-1-yldiazepane

1-pyrrolidin-1-yldiazepane (PubChem CID 66967959) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-pyrrolidin-1-yldiazepane.

Molecular Properties

Compound Name1-pyrrolidin-1-yldiazepane
PubChem CID66967959
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-pyrrolidin-1-yldiazepane
SMILESC1CCNN(N2CCCC2)CC1
InChIInChI=1S/C9H19N3/c1-2-6-10-12(9-3-1)11-7-4-5-8-11/h10H,1-9H2
InChIKeyBECBKAOXWGESGJ-UHFFFAOYSA-N
XLogP0.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylazepan-1-amine
CID 21748652
N-propylazepan-1-amine
CID 18920
N-heptylpyrrolidin-1-amine
CID 19755930
N-butylazepan-1-amine
CID 21611868
N-hexylpyrrolidin-1-amine
CID 22507223
1-Pentylpyrazolidine
CID 54247198
1-Hexylpyrazolidine
CID 54470797
1-Propan-2-yldiazepane
CID 57154820
1-Ethyldiazepane
CID 59531420
2-methyl-N-propan-2-ylpyrrolidin-1-amine
CID 69237103
N-hexylazepan-1-amine
CID 70432131
N-pentylpyrrolidin-1-amine
CID 118389774

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yldiazepane?
The IUPAC name of 1-pyrrolidin-1-yldiazepane (CID 66967959) is 1-pyrrolidin-1-yldiazepane.
What is the SMILES notation for 1-pyrrolidin-1-yldiazepane?
The canonical SMILES for 1-pyrrolidin-1-yldiazepane is C1CCNN(N2CCCC2)CC1.
What is the InChIKey of 1-pyrrolidin-1-yldiazepane?
The InChIKey is BECBKAOXWGESGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-6-10-12(9-3-1)11-7-4-5-8-11/h10H,1-9H2.
What are the key properties of 1-pyrrolidin-1-yldiazepane?
1-pyrrolidin-1-yldiazepane has a molecular weight of 169.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yldiazepane is sourced from PubChem (CID 66967959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).