4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine

C17H29N3 — CID 105072970

IUPAC4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
SMILESCCN(c1cnccc1CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H29N3/c1-5-20(15-8-6-7-9-15)16-13-18-11-10-14(16)12-19-17(2,3)4/h10-11,13,15,19H,5-9,12H2,1-4H3
InChIKeySVHHTDJNIIFIEM-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.74
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine

4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine (PubChem CID 105072970) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
PubChem CID105072970
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
SMILESCCN(c1cnccc1CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H29N3/c1-5-20(15-8-6-7-9-15)16-13-18-11-10-14(16)12-19-17(2,3)4/h10-11,13,15,19H,5-9,12H2,1-4H3
InChIKeySVHHTDJNIIFIEM-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
CID 105073982
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277
2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63550590
N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
CID 105072707
N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
CID 105072835
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
4-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 105072928
6-[(tert-butylamino)methyl]-N-cyclohexyl-N-ethylpyridazin-3-amine
CID 62279784
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylaminomethyl)pyridin-3-amine
CID 105074049
N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 105073949

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine (CID 105072970) is 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine is CCN(c1cnccc1CNC(C)(C)C)C1CCCC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine?
The InChIKey is SVHHTDJNIIFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-20(15-8-6-7-9-15)16-13-18-11-10-14(16)12-19-17(2,3)4/h10-11,13,15,19H,5-9,12H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine?
4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 3.74, 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-cyclopentyl-N-ethylpyridin-3-amine is sourced from PubChem (CID 105072970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).