1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine

C19H32N2 — CID 104736394

IUPAC1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H32N2/c1-5-21-18(13-15-7-6-12-20-14-15)16-8-10-17(11-9-16)19(2,3)4/h6-7,12,14,16-18,21H,5,8-11,13H2,1-4H3
InChIKeyBRBDVTQNWVDHLT-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine

1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 104736394) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID104736394
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H32N2/c1-5-21-18(13-15-7-6-12-20-14-15)16-8-10-17(11-9-16)19(2,3)4/h6-7,12,14,16-18,21H,5,8-11,13H2,1-4H3
InChIKeyBRBDVTQNWVDHLT-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 64776867
N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736387
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175651
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
N-ethyl-1-(2-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 63861666
N-ethyl-1-(4-ethylcyclohexyl)-3-pyridin-3-ylpropan-1-amine
CID 105155347
N-ethyl-1-(5-methyloxolan-2-yl)-2-pyridin-3-ylethanamine
CID 105034589
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
CID 113446951
N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
CID 104736506
1-(2,3-dihydro-1-benzofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736733
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine (CID 104736394) is 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is BRBDVTQNWVDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21-18(13-15-7-6-12-20-14-15)16-8-10-17(11-9-16)19(2,3)4/h6-7,12,14,16-18,21H,5,8-11,13H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine?
1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 104736394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).