1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane

C16H30N2 — CID 114095787

IUPAC1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane
SMILESCCC1CCN(CC2(C3CC3)CC2)CCC(C)N1
InChIInChI=1S/C16H30N2/c1-3-15-7-11-18(10-6-13(2)17-15)12-16(8-9-16)14-4-5-14/h13-15,17H,3-12H2,1-2H3
InChIKeyHRLSCQLBOHRXPO-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds4

About 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane

1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane (PubChem CID 114095787) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane
PubChem CID114095787
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane
SMILESCCC1CCN(CC2(C3CC3)CC2)CCC(C)N1
InChIInChI=1S/C16H30N2/c1-3-15-7-11-18(10-6-13(2)17-15)12-16(8-9-16)14-4-5-14/h13-15,17H,3-12H2,1-2H3
InChIKeyHRLSCQLBOHRXPO-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane
CID 55261020
1-[[1-(4-methylcyclohexyl)cyclopropyl]methyl]pyrrolidine
CID 58622811
4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane
CID 106900686
4-ethyl-6-methyl-1-(5-methylhexyl)-1,5-diazocane
CID 113287778
4-ethyl-6-methyl-1-(5,5,5-trifluoropentyl)-1,5-diazocane
CID 115521970
1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 114505870
4-ethyl-6-methyl-1-(4-methylpentan-2-yl)-1,5-diazocane
CID 54973100
1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 102807154
4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane
CID 82736075
1-[(1-cyclopropylcyclopropyl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 114095560
2-ethyl-4,7-dimethylazepane
CID 123848676
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane?
The IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane (CID 114095787) is 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane.
What is the SMILES notation for 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane?
The canonical SMILES for 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane is CCC1CCN(CC2(C3CC3)CC2)CCC(C)N1.
What is the InChIKey of 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane?
The InChIKey is HRLSCQLBOHRXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-15-7-11-18(10-6-13(2)17-15)12-16(8-9-16)14-4-5-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane?
1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane has a molecular weight of 250.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane is sourced from PubChem (CID 114095787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).