N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine

C14H25N3 — CID 62432012

IUPACN,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCCNCC(C)CN(C)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-7-16-10-13(2)11-17(3)12-14-5-8-15-9-6-14/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3
InChIKeyRQZXPEVMIHHAFK-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.15
Rot. Bonds8

About N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine

N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 62432012) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID62432012
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCCNCC(C)CN(C)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-7-16-10-13(2)11-17(3)12-14-5-8-15-9-6-14/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3
InChIKeyRQZXPEVMIHHAFK-UHFFFAOYSA-N
XLogP2.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.15
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-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 115665682
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535
N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560797
4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698
N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63699519
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 62432012) is N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine is CCCNCC(C)CN(C)Cc1ccncc1.
What is the InChIKey of N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is RQZXPEVMIHHAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-7-16-10-13(2)11-17(3)12-14-5-8-15-9-6-14/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3.
What are the key properties of N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62432012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).