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

C14H25N3 — CID 106045836

IUPACN'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNCCc1ccncc1
InChIInChI=1S/C14H25N3/c1-13(2)17(3)12-4-8-15-9-5-14-6-10-16-11-7-14/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3
InChIKeyPMWXSGKNGWSSBR-UHFFFAOYSA-N
MW235.37 g/mol
LogP1.94
Rot. Bonds8

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

N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine (PubChem CID 106045836) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
PubChem CID106045836
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNCCc1ccncc1
InChIInChI=1S/C14H25N3/c1-13(2)17(3)12-4-8-15-9-5-14-6-10-16-11-7-14/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3
InChIKeyPMWXSGKNGWSSBR-UHFFFAOYSA-N
XLogP1.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.94
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',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
1-N-ethyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pentane-1,4-diamine
CID 62428140
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine
CID 105416373

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine (CID 106045836) is N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine is CC(C)N(C)CCCNCCc1ccncc1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The InChIKey is PMWXSGKNGWSSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2)17(3)12-4-8-15-9-5-14-6-10-16-11-7-14/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine has a molecular weight of 235.37 g/mol, XLogP of 1.94, 8 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-(2-pyridin-4-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 106045836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).