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

C15H27N3 — CID 62286341

IUPACN-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine
SMILESCCCCN(CC)c1ccnc(CNCCC)c1
InChIInChI=1S/C15H27N3/c1-4-7-11-18(6-3)15-8-10-17-14(12-15)13-16-9-5-2/h8,10,12,16H,4-7,9,11,13H2,1-3H3
InChIKeySRVYTRWACGPDJF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds9

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

N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine (PubChem CID 62286341) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine
PubChem CID62286341
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine
SMILESCCCCN(CC)c1ccnc(CNCCC)c1
InChIInChI=1S/C15H27N3/c1-4-7-11-18(6-3)15-8-10-17-14(12-15)13-16-9-5-2/h8,10,12,16H,4-7,9,11,13H2,1-3H3
InChIKeySRVYTRWACGPDJF-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
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-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 62282319
N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine
CID 62292935
2-(aminomethyl)-N,N-dibutylpyridin-4-amine
CID 62300849
N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378913
N-butyl-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 62286174
N-(cyclopropylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 55059107
N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 63656716
N-cyclopropyl-N-(cyclopropylmethyl)-2-(propylaminomethyl)pyridin-4-amine
CID 64520477
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
2-(ethylaminomethyl)-N,N-bis(2-methylpropyl)pyridin-4-amine
CID 62284205
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine (CID 62286341) is N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine is CCCCN(CC)c1ccnc(CNCCC)c1.
What is the InChIKey of N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine?
The InChIKey is SRVYTRWACGPDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-11-18(6-3)15-8-10-17-14(12-15)13-16-9-5-2/h8,10,12,16H,4-7,9,11,13H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine?
N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 62286341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).