6-chloro-5-methyl-N,N-dipropylpyridin-3-amine

C12H19ClN2 — CID 82225042

IUPAC6-chloro-5-methyl-N,N-dipropylpyridin-3-amine
SMILESCCCN(CCC)c1cnc(Cl)c(C)c1
InChIInChI=1S/C12H19ClN2/c1-4-6-15(7-5-2)11-8-10(3)12(13)14-9-11/h8-9H,4-7H2,1-3H3
InChIKeyLTZSFMAPASGULR-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.67
Rot. Bonds5

About 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine

6-chloro-5-methyl-N,N-dipropylpyridin-3-amine (PubChem CID 82225042) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N,N-dipropylpyridin-3-amine
PubChem CID82225042
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name6-chloro-5-methyl-N,N-dipropylpyridin-3-amine
SMILESCCCN(CCC)c1cnc(Cl)c(C)c1
InChIInChI=1S/C12H19ClN2/c1-4-6-15(7-5-2)11-8-10(3)12(13)14-9-11/h8-9H,4-7H2,1-3H3
InChIKeyLTZSFMAPASGULR-UHFFFAOYSA-N
XLogP3.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N'-(6-chloropyridazin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114478238
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
6-chloro-N-ethyl-N-propylpyridazin-4-amine
CID 114478465
3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine
CID 104532476
5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
CID 138691667
CID 138691667
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428
4-(dipropylamino)-2-methylbenzaldehyde
CID 14848763
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474
2,4,6-trimethyl-N,N-dipropylaniline
CID 50937082
4-(chloromethyl)-N-ethyl-3-methyl-N-propylaniline
CID 62129296

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine?
The IUPAC name of 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine (CID 82225042) is 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine?
The canonical SMILES for 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine is CCCN(CCC)c1cnc(Cl)c(C)c1.
What is the InChIKey of 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine?
The InChIKey is LTZSFMAPASGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-6-15(7-5-2)11-8-10(3)12(13)14-9-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine?
6-chloro-5-methyl-N,N-dipropylpyridin-3-amine has a molecular weight of 226.75 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N,N-dipropylpyridin-3-amine is sourced from PubChem (CID 82225042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).