5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine

C17H26ClN3 — CID 78987726

IUPAC5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1ccc(Cl)c(CNC2CC2)n1)C1CC1
InChIInChI=1S/C17H26ClN3/c1-12(2)9-10-21(14-5-6-14)17-8-7-15(18)16(20-17)11-19-13-3-4-13/h7-8,12-14,19H,3-6,9-11H2,1-2H3
InChIKeyOTBYCOJHAMRGFG-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.00
Rot. Bonds8

About 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine

5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 78987726) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine
PubChem CID78987726
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1ccc(Cl)c(CNC2CC2)n1)C1CC1
InChIInChI=1S/C17H26ClN3/c1-12(2)9-10-21(14-5-6-14)17-8-7-15(18)16(20-17)11-19-13-3-4-13/h7-8,12-14,19H,3-6,9-11H2,1-2H3
InChIKeyOTBYCOJHAMRGFG-UHFFFAOYSA-N
XLogP4.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 55059386
2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 78989121
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281993
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
CID 78944932
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62293193
N-[[3-chloro-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82006269
5-chloro-N-(1-cyclopropylethyl)-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62282227
N-[[3-chloro-6-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503041
2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 78943781
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78974449
6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871203
5-chloro-N-cyclopropyl-6-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine (CID 78987726) is 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(c1ccc(Cl)c(CNC2CC2)n1)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is OTBYCOJHAMRGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-12(2)9-10-21(14-5-6-14)17-8-7-15(18)16(20-17)11-19-13-3-4-13/h7-8,12-14,19H,3-6,9-11H2,1-2H3.
What are the key properties of 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine?
5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 307.87 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 78987726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).