2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine

C19H32N2 — CID 63466024

IUPAC2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(C)Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-3-15-20-18-13-9-4-5-10-14-19(18)21(2)16-17-11-7-6-8-12-17/h6-8,11-12,18-20H,3-5,9-10,13-16H2,1-2H3
InChIKeyXXNXGAYKZYVZHC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.21
Rot. Bonds6

About 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine

2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine (PubChem CID 63466024) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
PubChem CID63466024
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(C)Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-3-15-20-18-13-9-4-5-10-14-19(18)21(2)16-17-11-7-6-8-12-17/h6-8,11-12,18-20H,3-5,9-10,13-16H2,1-2H3
InChIKeyXXNXGAYKZYVZHC-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
CID 65485884
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
CID 65488170
N-[(1S,2S)-2-[benzyl(methyl)amino]cyclohexyl]-2-chloroacetamide
CID 96554193
N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-2-chloroacetamide
CID 124526886
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
2-N-benzyl-1-N,1-N-dimethylcycloheptane-1,2-diamine;dihydrochloride
CID 23349763
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 96554230
2-amino-N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 124526892
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
CID 79313962
trans-(1R,2R)-1-N-benzyl-2-N,2-N-diethylcyclohexane-1,2-diamine
CID 101206907
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine
CID 174463045

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine (CID 63466024) is 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine is CCCNC1CCCCCCC1N(C)Cc1ccccc1.
What is the InChIKey of 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine?
The InChIKey is XXNXGAYKZYVZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-15-20-18-13-9-4-5-10-14-19(18)21(2)16-17-11-7-6-8-12-17/h6-8,11-12,18-20H,3-5,9-10,13-16H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine?
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine is sourced from PubChem (CID 63466024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).