3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

C15H24ClN3O — CID 82953039

IUPAC3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncc(CNC2CC2)cc1Cl)C(C)C
InChIInChI=1S/C15H24ClN3O/c1-11(2)19(6-7-20-3)15-14(16)8-12(10-18-15)9-17-13-4-5-13/h8,10-11,13,17H,4-7,9H2,1-3H3
InChIKeyRISMMVWAIHSAFY-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.85
Rot. Bonds8

About 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 82953039) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID82953039
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncc(CNC2CC2)cc1Cl)C(C)C
InChIInChI=1S/C15H24ClN3O/c1-11(2)19(6-7-20-3)15-14(16)8-12(10-18-15)9-17-13-4-5-13/h8,10-11,13,17H,4-7,9H2,1-3H3
InChIKeyRISMMVWAIHSAFY-UHFFFAOYSA-N
XLogP2.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952955
3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63487574
2-N-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191559
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293030
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227
3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 55059331
N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62294850
3-chloro-5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63941049
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66275528
6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine
CID 82953034

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (CID 82953039) is 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is COCCN(c1ncc(CNC2CC2)cc1Cl)C(C)C.
What is the InChIKey of 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is RISMMVWAIHSAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)19(6-7-20-3)15-14(16)8-12(10-18-15)9-17-13-4-5-13/h8,10-11,13,17H,4-7,9H2,1-3H3.
What are the key properties of 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 82953039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).