N-ethyl-1-pyridin-4-ylpentan-3-amine

C12H20N2 — CID 105078896

IUPACN-ethyl-1-pyridin-4-ylpentan-3-amine
SMILESCCNC(CC)CCc1ccncc1
InChIInChI=1S/C12H20N2/c1-3-12(14-4-2)6-5-11-7-9-13-10-8-11/h7-10,12,14H,3-6H2,1-2H3
InChIKeyPBQXROYDRZQQLT-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.40
Rot. Bonds6

About N-ethyl-1-pyridin-4-ylpentan-3-amine

N-ethyl-1-pyridin-4-ylpentan-3-amine (PubChem CID 105078896) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-ethyl-1-pyridin-4-ylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-pyridin-4-ylpentan-3-amine
PubChem CID105078896
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-ethyl-1-pyridin-4-ylpentan-3-amine
SMILESCCNC(CC)CCc1ccncc1
InChIInChI=1S/C12H20N2/c1-3-12(14-4-2)6-5-11-7-9-13-10-8-11/h7-10,12,14H,3-6H2,1-2H3
InChIKeyPBQXROYDRZQQLT-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845
N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
CID 105077588
N-ethyl-1-pyridin-4-yloct-6-yn-3-amine
CID 105181542
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
CID 105147906
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
CID 106799552
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105158653
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyridin-4-ylpentan-3-amine?
The IUPAC name of N-ethyl-1-pyridin-4-ylpentan-3-amine (CID 105078896) is N-ethyl-1-pyridin-4-ylpentan-3-amine.
What is the SMILES notation for N-ethyl-1-pyridin-4-ylpentan-3-amine?
The canonical SMILES for N-ethyl-1-pyridin-4-ylpentan-3-amine is CCNC(CC)CCc1ccncc1.
What is the InChIKey of N-ethyl-1-pyridin-4-ylpentan-3-amine?
The InChIKey is PBQXROYDRZQQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-12(14-4-2)6-5-11-7-9-13-10-8-11/h7-10,12,14H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1-pyridin-4-ylpentan-3-amine?
N-ethyl-1-pyridin-4-ylpentan-3-amine has a molecular weight of 192.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyridin-4-ylpentan-3-amine is sourced from PubChem (CID 105078896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).