N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine

C16H33N3 — CID 71383118

IUPACN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
SMILESCN1CCCN(CCNC2CCCCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-18-11-7-12-19(15-14-18)13-10-17-16-8-5-3-2-4-6-9-16/h16-17H,2-15H2,1H3
InChIKeyOBOIHBOBIJXWJN-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine

N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine (PubChem CID 71383118) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
PubChem CID71383118
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
SMILESCN1CCCN(CCNC2CCCCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-18-11-7-12-19(15-14-18)13-10-17-16-8-5-3-2-4-6-9-16/h16-17H,2-15H2,1H3
InChIKeyOBOIHBOBIJXWJN-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 159997450
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
CID 65286769
N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]cyclohexanamine
CID 113240998

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine?
The IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine (CID 71383118) is N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine?
The canonical SMILES for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine is CN1CCCN(CCNC2CCCCCCC2)CC1.
What is the InChIKey of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine?
The InChIKey is OBOIHBOBIJXWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-18-11-7-12-19(15-14-18)13-10-17-16-8-5-3-2-4-6-9-16/h16-17H,2-15H2,1H3.
What are the key properties of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine?
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine has a molecular weight of 267.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine is sourced from PubChem (CID 71383118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).