N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine

C12H21N3 — CID 112649923

IUPACN'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cccnc1CN(CCN)C(C)C
InChIInChI=1S/C12H21N3/c1-10(2)15(8-6-13)9-12-11(3)5-4-7-14-12/h4-5,7,10H,6,8-9,13H2,1-3H3
InChIKeyYHZWLBGFBVFDDQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.56
Rot. Bonds5

About N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine

N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 112649923) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID112649923
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cccnc1CN(CCN)C(C)C
InChIInChI=1S/C12H21N3/c1-10(2)15(8-6-13)9-12-11(3)5-4-7-14-12/h4-5,7,10H,6,8-9,13H2,1-3H3
InChIKeyYHZWLBGFBVFDDQ-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]propanethioamide
CID 112650348
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 115982039
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55128300
2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine
CID 112649945
2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
CID 11370051
N'-[(3-fluoro-2-pyridinyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11347188
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
CID 104739694
N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide
CID 169111449

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 112649923) is N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine is Cc1cccnc1CN(CCN)C(C)C.
What is the InChIKey of N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is YHZWLBGFBVFDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15(8-6-13)9-12-11(3)5-4-7-14-12/h4-5,7,10H,6,8-9,13H2,1-3H3.
What are the key properties of N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 112649923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).