N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine

C14H26N4 — CID 63698946

IUPACN,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCCNc1ccc(CN(C)CCN(C)C)cn1
InChIInChI=1S/C14H26N4/c1-5-8-15-14-7-6-13(11-16-14)12-18(4)10-9-17(2)3/h6-7,11H,5,8-10,12H2,1-4H3,(H,15,16)
InChIKeyGZSSARPELFOJID-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds8

About N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine (PubChem CID 63698946) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
PubChem CID63698946
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCCNc1ccc(CN(C)CCN(C)C)cn1
InChIInChI=1S/C14H26N4/c1-5-8-15-14-7-6-13(11-16-14)12-18(4)10-9-17(2)3/h6-7,11H,5,8-10,12H2,1-4H3,(H,15,16)
InChIKeyGZSSARPELFOJID-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

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Related Compounds

5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 62183942
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
5-[[cyclobutylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62861753
5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62207430
2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62182263
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62207861
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183338
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
5-[[1-cyclopropylethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62182940
4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62981948

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine (CID 63698946) is N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine is CCCNc1ccc(CN(C)CCN(C)C)cn1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine?
The InChIKey is GZSSARPELFOJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-8-15-14-7-6-13(11-16-14)12-18(4)10-9-17(2)3/h6-7,11H,5,8-10,12H2,1-4H3,(H,15,16).
What are the key properties of N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[[6-(propylamino)-3-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'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 63698946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).