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

C17H26N2 — CID 115400223

IUPAC(1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C(NCCc2ccncc2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C17H26N2/c1-16(2)14-4-8-17(3,12-14)15(16)19-11-7-13-5-9-18-10-6-13/h5-6,9-10,14-15,19H,4,7-8,11-12H2,1-3H3/t14-,15?,17+/m0/s1
InChIKeyHQTCYCZLQHQXPB-XJIUDMAQSA-N
MW258.41 g/mol
LogP3.43
Rot. Bonds4

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

(1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400223) 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-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115400223
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C(NCCc2ccncc2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C17H26N2/c1-16(2)14-4-8-17(3,12-14)15(16)19-11-7-13-5-9-18-10-6-13/h5-6,9-10,14-15,19H,4,7-8,11-12H2,1-3H3/t14-,15?,17+/m0/s1
InChIKeyHQTCYCZLQHQXPB-XJIUDMAQSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 114183303
(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400352
3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine
CID 113452035
(1R,4S)-N-[(3,4-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400732
1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine
CID 114169083
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
N-(3-ethylsulfanylpropyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113473531
N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide
CID 103894738
(1R,4S)-1,3,3-trimethyl-N-(3-propan-2-yloxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 113302687
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine
CID 82710310
N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 106040859

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 115400223) is (1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C(NCCc2ccncc2)[C@]2(C)CC[C@H]1C2.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HQTCYCZLQHQXPB-XJIUDMAQSA-N. The full InChI is InChI=1S/C17H26N2/c1-16(2)14-4-8-17(3,12-14)15(16)19-11-7-13-5-9-18-10-6-13/h5-6,9-10,14-15,19H,4,7-8,11-12H2,1-3H3/t14-,15?,17+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 258.41 g/mol, XLogP of 3.43, 4 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-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).