(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine

C17H26N2 — CID 115400352

IUPAC(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccncc1
InChIInChI=1S/C17H26N2/c1-12(13-6-9-18-10-7-13)19-15-16(2,3)14-5-8-17(15,4)11-14/h6-7,9-10,12,14-15,19H,5,8,11H2,1-4H3/t12?,14-,15?,17+/m0/s1
InChIKeyISHQYBKFUPSGLS-ARMAHUPYSA-N
MW258.41 g/mol
LogP3.95
Rot. Bonds3

About (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine

(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400352) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115400352
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccncc1
InChIInChI=1S/C17H26N2/c1-12(13-6-9-18-10-7-13)19-15-16(2,3)14-5-8-17(15,4)11-14/h6-7,9-10,12,14-15,19H,5,8,11H2,1-4H3/t12?,14-,15?,17+/m0/s1
InChIKeyISHQYBKFUPSGLS-ARMAHUPYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

1,3,3-trimethyl-N-[(1R)-1-pyridin-4-ylethyl]bicyclo[2.2.1]heptan-2-amine
CID 81405698
N-[(1S)-1-(3-bromophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81382066
1,3,3-trimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 102612777
(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400949
(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400500
(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400818
3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine
CID 113452035
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
(1R,4S)-N-(1-methoxypropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400260
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 115400352) is (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is CC(NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccncc1.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ISHQYBKFUPSGLS-ARMAHUPYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(13-6-9-18-10-7-13)19-15-16(2,3)14-5-8-17(15,4)11-14/h6-7,9-10,12,14-15,19H,5,8,11H2,1-4H3/t12?,14-,15?,17+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 258.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).