5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine

C16H28ClN3 — CID 63489453

IUPAC5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1ccc(Cl)c(CNCC(C)C)n1
InChIInChI=1S/C16H28ClN3/c1-5-9-20(10-6-2)16-8-7-14(17)15(19-16)12-18-11-13(3)4/h7-8,13,18H,5-6,9-12H2,1-4H3
InChIKeyQDGREXNZHGFTSJ-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.11
Rot. Bonds9

About 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine

5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine (PubChem CID 63489453) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
PubChem CID63489453
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1ccc(Cl)c(CNCC(C)C)n1
InChIInChI=1S/C16H28ClN3/c1-5-9-20(10-6-2)16-8-7-14(17)15(19-16)12-18-11-13(3)4/h7-8,13,18H,5-6,9-12H2,1-4H3
InChIKeyQDGREXNZHGFTSJ-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280243
5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine
CID 63490142
N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63489625
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288482
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280062
5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63866665
N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 55054566
N-[[3-chloro-6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296834
5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294383
5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754697
5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62282594
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine (CID 63489453) is 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine is CCCN(CCC)c1ccc(Cl)c(CNCC(C)C)n1.
What is the InChIKey of 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine?
The InChIKey is QDGREXNZHGFTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-5-9-20(10-6-2)16-8-7-14(17)15(19-16)12-18-11-13(3)4/h7-8,13,18H,5-6,9-12H2,1-4H3.
What are the key properties of 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine?
5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine has a molecular weight of 297.87 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine is sourced from PubChem (CID 63489453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).