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

C14H26N4 — CID 79250847

IUPACN,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCCNc1ccnc(CN(C)CCN(C)C)c1
InChIInChI=1S/C14H26N4/c1-5-7-15-13-6-8-16-14(11-13)12-18(4)10-9-17(2)3/h6,8,11H,5,7,9-10,12H2,1-4H3,(H,15,16)
InChIKeySNARWCXQTBFWLV-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds8

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

N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine (PubChem CID 79250847) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
PubChem CID79250847
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCCNc1ccnc(CN(C)CCN(C)C)c1
InChIInChI=1S/C14H26N4/c1-5-7-15-13-6-8-16-14(11-13)12-18(4)10-9-17(2)3/h6,8,11H,5,7,9-10,12H2,1-4H3,(H,15,16)
InChIKeySNARWCXQTBFWLV-UHFFFAOYSA-N
XLogP1.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine with MolForge

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Related Compounds

2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79244315
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79245192
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine
CID 79251101
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79251024
2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79244631
2-[cyanomethyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]acetonitrile
CID 79245643
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245356
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79313466
N'-[(4-hydrazinyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79259826
2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
CID 115883847
N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 63698946
2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
CID 79259514

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine (CID 79250847) is N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine is CCCNc1ccnc(CN(C)CCN(C)C)c1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine?
The InChIKey is SNARWCXQTBFWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-7-15-13-6-8-16-14(11-13)12-18(4)10-9-17(2)3/h6,8,11H,5,7,9-10,12H2,1-4H3,(H,15,16).
What are the key properties of N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 79250847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).