1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane

C11H22N2 — CID 64872296

IUPAC1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
SMILESCCC1CN(CC2CC2)CCCN1
InChIInChI=1S/C11H22N2/c1-2-11-9-13(7-3-6-12-11)8-10-4-5-10/h10-12H,2-9H2,1H3
InChIKeyTWKZUFVOKJVABC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane

1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane (PubChem CID 64872296) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
PubChem CID64872296
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
SMILESCCC1CN(CC2CC2)CCCN1
InChIInChI=1S/C11H22N2/c1-2-11-9-13(7-3-6-12-11)8-10-4-5-10/h10-12H,2-9H2,1H3
InChIKeyTWKZUFVOKJVABC-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
CID 64952931
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
3-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-1,4-diazepane
CID 64949634
1-[(1-ethylpiperidin-4-yl)methyl]-3-propyl-1,4-diazepane
CID 64949336
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
CID 64951574
3-ethyl-1-pentyl-1,4-diazepane
CID 64869528
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901669
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
3-ethyl-1-octyl-1,4-diazepane
CID 64871697
1-(1,4-dioxan-2-ylmethyl)-3-ethyl-1,4-diazepane
CID 64944587
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64944188

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane?
The IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane (CID 64872296) is 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane?
The canonical SMILES for 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane is CCC1CN(CC2CC2)CCCN1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane?
The InChIKey is TWKZUFVOKJVABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-11-9-13(7-3-6-12-11)8-10-4-5-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane?
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane has a molecular weight of 182.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane is sourced from PubChem (CID 64872296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).