N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine

C17H32N4 — CID 62472100

IUPACN,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCCNc1ncccc1CN(CCN(C)C)CC(C)C
InChIInChI=1S/C17H32N4/c1-6-9-18-17-16(8-7-10-19-17)14-21(13-15(2)3)12-11-20(4)5/h7-8,10,15H,6,9,11-14H2,1-5H3,(H,18,19)
InChIKeyYAHDJGCXUDWRET-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.92
Rot. Bonds10

About N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine

N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine (PubChem CID 62472100) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
PubChem CID62472100
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCCNc1ncccc1CN(CCN(C)C)CC(C)C
InChIInChI=1S/C17H32N4/c1-6-9-18-17-16(8-7-10-19-17)14-21(13-15(2)3)12-11-20(4)5/h7-8,10,15H,6,9,11-14H2,1-5H3,(H,18,19)
InChIKeyYAHDJGCXUDWRET-UHFFFAOYSA-N
XLogP2.92
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62471942
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 63965599
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79245192
3-[[1-cyclopropylethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472252
N-ethyl-N-[(2-hydrazinyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62469591
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
3-(diethylaminomethyl)-N-ethylpyridin-2-amine
CID 62471645
3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62471186
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152933
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine (CID 62472100) is N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine is CCCNc1ncccc1CN(CCN(C)C)CC(C)C.
What is the InChIKey of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine?
The InChIKey is YAHDJGCXUDWRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-9-18-17-16(8-7-10-19-17)14-21(13-15(2)3)12-11-20(4)5/h7-8,10,15H,6,9,11-14H2,1-5H3,(H,18,19).
What are the key properties of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 62472100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).