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

C14H25N3 — CID 113343834

IUPACN'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCC(NCCCN(C)C(C)C)c1ccccn1
InChIInChI=1S/C14H25N3/c1-12(2)17(4)11-7-10-15-13(3)14-8-5-6-9-16-14/h5-6,8-9,12-13,15H,7,10-11H2,1-4H3
InChIKeyNPULTFBFVPRBRJ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.46
Rot. Bonds7

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

N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine (PubChem CID 113343834) 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-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
PubChem CID113343834
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCC(NCCCN(C)C(C)C)c1ccccn1
InChIInChI=1S/C14H25N3/c1-12(2)17(4)11-7-10-15-13(3)14-8-5-6-9-16-14/h5-6,8-9,12-13,15H,7,10-11H2,1-4H3
InChIKeyNPULTFBFVPRBRJ-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

3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 106452331
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500
2-N,2-N,2-trimethyl-1-N-(1-pyridin-2-ylethyl)propane-1,2-diamine
CID 43203109

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine (CID 113343834) is N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine is CC(NCCCN(C)C(C)C)c1ccccn1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine?
The InChIKey is NPULTFBFVPRBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)17(4)11-7-10-15-13(3)14-8-5-6-9-16-14/h5-6,8-9,12-13,15H,7,10-11H2,1-4H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-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-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 113343834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).