1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine

C16H33N3 — CID 63275645

IUPAC1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
SMILESCNC1CCCCCCC1N(C)CC1CCN(C)C1
InChIInChI=1S/C16H33N3/c1-17-15-8-6-4-5-7-9-16(15)19(3)13-14-10-11-18(2)12-14/h14-17H,4-13H2,1-3H3
InChIKeyJZKBBHAOMRZYLG-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds4

About 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine

1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine (PubChem CID 63275645) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
PubChem CID63275645
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
SMILESCNC1CCCCCCC1N(C)CC1CCN(C)C1
InChIInChI=1S/C16H33N3/c1-17-15-8-6-4-5-7-9-16(15)19(3)13-14-10-11-18(2)12-14/h14-17H,4-13H2,1-3H3
InChIKeyJZKBBHAOMRZYLG-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63275379
1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62547117
N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998479
4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 63233434
N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234425
2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 79828545
1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine
CID 63207186
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 63274438
3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 63276081
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63234790
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55170284

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine (CID 63275645) is 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine is CNC1CCCCCCC1N(C)CC1CCN(C)C1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine?
The InChIKey is JZKBBHAOMRZYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-17-15-8-6-4-5-7-9-16(15)19(3)13-14-10-11-18(2)12-14/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine?
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine is sourced from PubChem (CID 63275645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).