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

C17H29N3 — CID 63657128

IUPAC4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CCCC1)c1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C17H29N3/c1-17(2,3)19-12-15-9-10-18-16(11-15)20(4)13-14-7-5-6-8-14/h9-11,14,19H,5-8,12-13H2,1-4H3
InChIKeyTZOFZRGRQYRSJQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.60
Rot. Bonds5

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

4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine (PubChem CID 63657128) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
PubChem CID63657128
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CCCC1)c1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C17H29N3/c1-17(2,3)19-12-15-9-10-18-16(11-15)20(4)13-14-7-5-6-8-14/h9-11,14,19H,5-8,12-13H2,1-4H3
InChIKeyTZOFZRGRQYRSJQ-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.60
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-(cyclopentylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine (CID 63657128) is 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine is CN(CC1CCCC1)c1cc(CNC(C)(C)C)ccn1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine?
The InChIKey is TZOFZRGRQYRSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2,3)19-12-15-9-10-18-16(11-15)20(4)13-14-7-5-6-8-14/h9-11,14,19H,5-8,12-13H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine?
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.60, 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-(cyclopentylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63657128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).