5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine

C15H24ClN3 — CID 62282283

IUPAC5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CC1)c1ncc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C15H24ClN3/c1-15(2,3)18-9-12-7-13(16)14(17-8-12)19(4)10-11-5-6-11/h7-8,11,18H,5-6,9-10H2,1-4H3
InChIKeyVWAFEHFLAQHPRD-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.47
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine

5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine (PubChem CID 62282283) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
PubChem CID62282283
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CC1)c1ncc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C15H24ClN3/c1-15(2,3)18-9-12-7-13(16)14(17-8-12)19(4)10-11-5-6-11/h7-8,11,18H,5-6,9-10H2,1-4H3
InChIKeyVWAFEHFLAQHPRD-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine (CID 62282283) is 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine is CN(CC1CC1)c1ncc(CNC(C)(C)C)cc1Cl.
What is the InChIKey of 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine?
The InChIKey is VWAFEHFLAQHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-15(2,3)18-9-12-7-13(16)14(17-8-12)19(4)10-11-5-6-11/h7-8,11,18H,5-6,9-10H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine?
5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62282283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).