4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine

C16H27N3 — CID 62282920

IUPAC4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
SMILESCC(C1CC1)N(C)c1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C16H27N3/c1-12(14-6-7-14)19(5)15-10-13(8-9-17-15)11-18-16(2,3)4/h8-10,12,14,18H,6-7,11H2,1-5H3
InChIKeyAWRYHYFLMOXRTC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.20
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine

4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine (PubChem CID 62282920) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
PubChem CID62282920
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
SMILESCC(C1CC1)N(C)c1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C16H27N3/c1-12(14-6-7-14)19(5)15-10-13(8-9-17-15)11-18-16(2,3)4/h8-10,12,14,18H,6-7,11H2,1-5H3
InChIKeyAWRYHYFLMOXRTC-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine (CID 62282920) is 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine is CC(C1CC1)N(C)c1cc(CNC(C)(C)C)ccn1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine?
The InChIKey is AWRYHYFLMOXRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(14-6-7-14)19(5)15-10-13(8-9-17-15)11-18-16(2,3)4/h8-10,12,14,18H,6-7,11H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine?
4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62282920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).