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

C12H24N2 — CID 64942557

IUPAC1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
SMILESCCC1CN(CC2CCC2)CCCN1
InChIInChI=1S/C12H24N2/c1-2-12-10-14(8-4-7-13-12)9-11-5-3-6-11/h11-13H,2-10H2,1H3
InChIKeyGXENFBGSUGNXJU-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds3

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

1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane (PubChem CID 64942557) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
PubChem CID64942557
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
SMILESCCC1CN(CC2CCC2)CCCN1
InChIInChI=1S/C12H24N2/c1-2-12-10-14(8-4-7-13-12)9-11-5-3-6-11/h11-13H,2-10H2,1H3
InChIKeyGXENFBGSUGNXJU-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
CID 64952931
1-[(1-ethylpiperidin-4-yl)methyl]-3-propyl-1,4-diazepane
CID 64949336
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
3-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-1,4-diazepane
CID 64949634
1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
CID 114225345
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane?
The IUPAC name of 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane (CID 64942557) is 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane?
The canonical SMILES for 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane is CCC1CN(CC2CCC2)CCCN1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane?
The InChIKey is GXENFBGSUGNXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-12-10-14(8-4-7-13-12)9-11-5-3-6-11/h11-13H,2-10H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane?
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane is sourced from PubChem (CID 64942557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).