N-butyl-3-chloro-N-ethylpyridin-4-amine

C11H17ClN2 — CID 133352222

IUPACN-butyl-3-chloro-N-ethylpyridin-4-amine
SMILESCCCCN(CC)c1ccncc1Cl
InChIInChI=1S/C11H17ClN2/c1-3-5-8-14(4-2)11-6-7-13-9-10(11)12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHTFMFDZMSPHCQN-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.36
Rot. Bonds5

About N-butyl-3-chloro-N-ethylpyridin-4-amine

N-butyl-3-chloro-N-ethylpyridin-4-amine (PubChem CID 133352222) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-butyl-3-chloro-N-ethylpyridin-4-amine.

Molecular Properties

Compound NameN-butyl-3-chloro-N-ethylpyridin-4-amine
PubChem CID133352222
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-butyl-3-chloro-N-ethylpyridin-4-amine
SMILESCCCCN(CC)c1ccncc1Cl
InChIInChI=1S/C11H17ClN2/c1-3-5-8-14(4-2)11-6-7-13-9-10(11)12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHTFMFDZMSPHCQN-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
CID 79770158
3-[(3-chloro-4-pyridinyl)-ethylamino]propanethioamide
CID 79841086
4-bromo-N-butyl-2-chloro-N-ethylaniline
CID 146004064
6-N-butyl-6-N-ethylisoquinoline-5,6-diamine
CID 106947469
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 79841476
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanethioamide
CID 79841085
N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
CID 105072707
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
7-[butyl(ethyl)amino]-3-chloroquinoline-8-carbonitrile
CID 13206532
N,N-diethyl-3-fluoropyridin-4-amine
CID 91326700
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
[3-[ethyl(propyl)amino]-4-pyridinyl]methanol
CID 105066699

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-ethylpyridin-4-amine?
The IUPAC name of N-butyl-3-chloro-N-ethylpyridin-4-amine (CID 133352222) is N-butyl-3-chloro-N-ethylpyridin-4-amine.
What is the SMILES notation for N-butyl-3-chloro-N-ethylpyridin-4-amine?
The canonical SMILES for N-butyl-3-chloro-N-ethylpyridin-4-amine is CCCCN(CC)c1ccncc1Cl.
What is the InChIKey of N-butyl-3-chloro-N-ethylpyridin-4-amine?
The InChIKey is HTFMFDZMSPHCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-3-5-8-14(4-2)11-6-7-13-9-10(11)12/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-butyl-3-chloro-N-ethylpyridin-4-amine?
N-butyl-3-chloro-N-ethylpyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-ethylpyridin-4-amine is sourced from PubChem (CID 133352222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).