N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine

C17H32N4 — CID 79245192

IUPACN,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCCNc1ccnc(CN(CCN(C)C)CC(C)C)c1
InChIInChI=1S/C17H32N4/c1-6-8-18-16-7-9-19-17(12-16)14-21(13-15(2)3)11-10-20(4)5/h7,9,12,15H,6,8,10-11,13-14H2,1-5H3,(H,18,19)
InChIKeyBNIXRQDGCXMRST-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.92
Rot. Bonds10

About N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine

N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine (PubChem CID 79245192) 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'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
PubChem CID79245192
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCCNc1ccnc(CN(CCN(C)C)CC(C)C)c1
InChIInChI=1S/C17H32N4/c1-6-8-18-16-7-9-19-17(12-16)14-21(13-15(2)3)11-10-20(4)5/h7,9,12,15H,6,8,10-11,13-14H2,1-5H3,(H,18,19)
InChIKeyBNIXRQDGCXMRST-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

N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847
N'-[(4-hydrazinyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79259446
2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79244631
2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79244315
2-[cyanomethyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]acetonitrile
CID 79245643
N'-[(4-hydrazinyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79259826
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245356
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 62472100
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine
CID 79251101
2-[[4-(ethylamino)-2-pyridinyl]methyl-(2-methylpropyl)amino]acetamide
CID 79245129
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79251024
2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
CID 115883847

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine (CID 79245192) is N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine is CCCNc1ccnc(CN(CCN(C)C)CC(C)C)c1.
What is the InChIKey of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine?
The InChIKey is BNIXRQDGCXMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-8-18-16-7-9-19-17(12-16)14-21(13-15(2)3)11-10-20(4)5/h7,9,12,15H,6,8,10-11,13-14H2,1-5H3,(H,18,19).
What are the key properties of N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-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'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 79245192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).