N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine

C12H21N3O — CID 63993127

IUPACN'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1cccc(CN(CCN)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-10(2)15(8-7-13)9-11-5-4-6-12(14-11)16-3/h4-6,10H,7-9,13H2,1-3H3
InChIKeyTVJULTVABDPWID-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.26
Rot. Bonds6

About N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine

N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 63993127) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID63993127
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1cccc(CN(CCN)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-10(2)15(8-7-13)9-11-5-4-6-12(14-11)16-3/h4-6,10H,7-9,13H2,1-3H3
InChIKeyTVJULTVABDPWID-UHFFFAOYSA-N
XLogP1.26
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-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

3-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
CID 63986878
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine
CID 101246134
N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63992933
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715
2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
CID 63992949
N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63590609
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 82953078
N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661676
2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
CID 63993136
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 63984704
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 63985137

Frequently Asked Questions

What is the IUPAC name of N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 63993127) is N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine is COc1cccc(CN(CCN)C(C)C)n1.
What is the InChIKey of N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is TVJULTVABDPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15(8-7-13)9-11-5-4-6-12(14-11)16-3/h4-6,10H,7-9,13H2,1-3H3.
What are the key properties of N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63993127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).