1-ethyl-3-propan-2-yl-1,4-diazepane

C10H22N2 — CID 64857058

IUPAC1-ethyl-3-propan-2-yl-1,4-diazepane
SMILESCCN1CCCNC(C(C)C)C1
InChIInChI=1S/C10H22N2/c1-4-12-7-5-6-11-10(8-12)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyCVRIRRUCESEYNX-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds2

About 1-ethyl-3-propan-2-yl-1,4-diazepane

1-ethyl-3-propan-2-yl-1,4-diazepane (PubChem CID 64857058) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-1,4-diazepane
PubChem CID64857058
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-ethyl-3-propan-2-yl-1,4-diazepane
SMILESCCN1CCCNC(C(C)C)C1
InChIInChI=1S/C10H22N2/c1-4-12-7-5-6-11-10(8-12)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyCVRIRRUCESEYNX-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-ethyl-3-propan-2-yl-1,4-diazepane (CID 64857058) is 1-ethyl-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-ethyl-3-propan-2-yl-1,4-diazepane is CCN1CCCNC(C(C)C)C1.
What is the InChIKey of 1-ethyl-3-propan-2-yl-1,4-diazepane?
The InChIKey is CVRIRRUCESEYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-12-7-5-6-11-10(8-12)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-yl-1,4-diazepane?
1-ethyl-3-propan-2-yl-1,4-diazepane has a molecular weight of 170.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64857058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).