N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine

C15H27N3 — CID 105072908

IUPACN-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
SMILESCCCNCc1ccncc1N(CC)C(C)CC
InChIInChI=1S/C15H27N3/c1-5-9-16-11-14-8-10-17-12-15(14)18(7-3)13(4)6-2/h8,10,12-13,16H,5-7,9,11H2,1-4H3
InChIKeyRRJLRDSIZWQNQS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds8

About N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine

N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine (PubChem CID 105072908) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
PubChem CID105072908
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
SMILESCCCNCc1ccncc1N(CC)C(C)CC
InChIInChI=1S/C15H27N3/c1-5-9-16-11-14-8-10-17-12-15(14)18(7-3)13(4)6-2/h8,10,12-13,16H,5-7,9,11H2,1-4H3
InChIKeyRRJLRDSIZWQNQS-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073725
N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073477
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073191
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073619
N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine
CID 105074300
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine
CID 105074176
2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191478
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072825

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine (CID 105072908) is N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine is CCCNCc1ccncc1N(CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine?
The InChIKey is RRJLRDSIZWQNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-9-16-11-14-8-10-17-12-15(14)18(7-3)13(4)6-2/h8,10,12-13,16H,5-7,9,11H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine?
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine is sourced from PubChem (CID 105072908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).