N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine

C14H25N3 — CID 103882819

IUPACN'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCC(NCCCN(C)C(C)C)c1ccncc1
InChIInChI=1S/C14H25N3/c1-12(2)17(4)11-5-8-16-13(3)14-6-9-15-10-7-14/h6-7,9-10,12-13,16H,5,8,11H2,1-4H3
InChIKeyZPLZWBCJLXKLMH-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.46
Rot. Bonds7

About N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine (PubChem CID 103882819) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
PubChem CID103882819
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCC(NCCCN(C)C(C)C)c1ccncc1
InChIInChI=1S/C14H25N3/c1-12(2)17(4)11-5-8-16-13(3)14-6-9-15-10-7-14/h6-7,9-10,12-13,16H,5,8,11H2,1-4H3
InChIKeyZPLZWBCJLXKLMH-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716762
N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 106045836
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
3-ethylsulfonyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 65093199
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
3-methylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81410572
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine (CID 103882819) is N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine is CC(NCCCN(C)C(C)C)c1ccncc1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine?
The InChIKey is ZPLZWBCJLXKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)17(4)11-5-8-16-13(3)14-6-9-15-10-7-14/h6-7,9-10,12-13,16H,5,8,11H2,1-4H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 103882819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).