N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine

C15H27N3 — CID 55055011

IUPACN-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cc(N(CC)CC(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-5-8-16-11-14-10-15(7-9-17-14)18(6-2)12-13(3)4/h7,9-10,13,16H,5-6,8,11-12H2,1-4H3
InChIKeyXXWRIIFVIKYRCG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.06
Rot. Bonds8

About N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine

N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine (PubChem CID 55055011) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
PubChem CID55055011
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cc(N(CC)CC(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-5-8-16-11-14-10-15(7-9-17-14)18(6-2)12-13(3)4/h7,9-10,13,16H,5-6,8,11-12H2,1-4H3
InChIKeyXXWRIIFVIKYRCG-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.06
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

2-(ethylaminomethyl)-N,N-bis(2-methylpropyl)pyridin-4-amine
CID 62284205
N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine
CID 62286341
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 62282319
N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
CID 43281999
N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine
CID 62292935
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070
2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 63488590
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-(cyclopropylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 55059107
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine (CID 55055011) is N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine is CCCNCc1cc(N(CC)CC(C)C)ccn1.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine?
The InChIKey is XXWRIIFVIKYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-16-11-14-10-15(7-9-17-14)18(6-2)12-13(3)4/h7,9-10,13,16H,5-6,8,11-12H2,1-4H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine?
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 55055011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).