2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine

C18H37N3 — CID 63207322

IUPAC2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(C)CCN1CCCC1
InChIInChI=1S/C18H37N3/c1-3-12-19-17-10-6-4-5-7-11-18(17)20(2)15-16-21-13-8-9-14-21/h17-19H,3-16H2,1-2H3
InChIKeyOJBDXSSLKBNAIY-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.11
Rot. Bonds7

About 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine

2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine (PubChem CID 63207322) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
PubChem CID63207322
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(C)CCN1CCCC1
InChIInChI=1S/C18H37N3/c1-3-12-19-17-10-6-4-5-7-11-18(17)20(2)15-16-21-13-8-9-14-21/h17-19H,3-16H2,1-2H3
InChIKeyOJBDXSSLKBNAIY-UHFFFAOYSA-N
XLogP3.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine
CID 63207186
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
CID 79313962
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine
CID 63695200
1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
CID 65485884
1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine
CID 79618510
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
CID 65488170
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
CID 63466024
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208841

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine (CID 63207322) is 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine is CCCNC1CCCCCCC1N(C)CCN1CCCC1.
What is the InChIKey of 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine?
The InChIKey is OJBDXSSLKBNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-3-12-19-17-10-6-4-5-7-11-18(17)20(2)15-16-21-13-8-9-14-21/h17-19H,3-16H2,1-2H3.
What are the key properties of 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine?
2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine has a molecular weight of 295.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine is sourced from PubChem (CID 63207322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).